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Chemical ID: 6434350

Chemical ID:

6434350

Name [?]:

N-[4-(diethylcarbamoyl)phenyl]pyridine-2-carboxamide

SMILES [?]:

CCN(CC)C(=O)c1ccc(cc1)NC(=O)c2ccccn2

InChi [?]:

InChI=1/C17H19N3O2/c1-3-20(4-2)17(22)13-8-10-14(11-9-13)19-16(21)15-7-5-6-12-18-15/h5-12H,3-4H2,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,19,20,18,9,13,10,12,21,8,11,17,15,6,22,14,3,16,7/E:(1,2)(3,4)(8,9)(10,11)/rA:22nCCNCCCOCCCCCCNCOCCCCCN/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0946
Area:	510.885
Solvation:	-2.67748
Coulombic:	-45.7602

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.352
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.22
LogP (Chemaxon):	2.02

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value