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Chemical ID: 3930057

Chemical ID:

3930057

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CC(=O)Nc2ccc(nc2)NC(=O)C3CC3

InChi [?]:

InChI=1/C17H17N3O2/c21-16(10-12-4-2-1-3-5-12)19-14-8-9-15(18-11-14)20-17(22)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,19,21)(H,18,20,22)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,21,22,12,13,7,16,4,20,11,14,8,18,15,10,17,9,19/E:(2,3)(4,5)(6,7)/rA:22nCCCCCCCCONCCCCNCNCOCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.2104
Area:	511.91
Solvation:	-4.58735
Coulombic:	-43.6775

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	295.336
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.32
LogP (Chemaxon):	2.62

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