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Chemical ID: 3929912

Chemical ID:

3929912

Name [?]:

N-[5-(2-phenylacetyl)amino-2-pyridyl]butanamide

SMILES [?]:

CCCC(=O)Nc1ccc(cn1)NC(=O)Cc2ccccc2

InChi [?]:

InChI=1/C17H19N3O2/c1-2-6-16(21)20-15-10-9-14(12-18-15)19-17(22)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H,19,22)(H,18,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,20,19,21,3,18,22,9,8,16,11,17,10,7,4,14,12,13,6,5,15/E:(4,5)(7,8)/rA:22nCCCCONCCCCCNNCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.45424
Area:	524.075
Solvation:	-4.64764
Coulombic:	-43.7237

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	297.352
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.93
LogP (Chemaxon):	2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value