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Chemical ID: 7518933

Chemical ID:

7518933

Name [?]:

N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrrolidin-1-yl-pyridine-3-carboxamide

SMILES [?]:

CCOc1ccc(cc1OCC)CCNC(=O)c2cccnc2N3CCCC3

InChi [?]:

InChI=1/C22H29N3O3/c1-3-27-19-10-9-17(16-20(19)28-4-2)11-13-24-22(26)18-8-7-12-23-21(18)25-14-5-6-15-25/h7-10,12,16H,3-6,11,13-15H2,1-2H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,12,2,11,26,27,20,19,6,5,13,21,14,25,28,8,7,18,4,9,23,16,22,15,24,17,3,10/E:(5,6)(14,15)/rA:28nCCOCCCCCCOCCCCNCOCCCCNCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉N₃O₃
All Atoms:	57
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	9.5014
Area:	639.886
Solvation:	-6.49576
Coulombic:	-47.2192

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.89
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value