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Chemical ID: 6833975

Chemical ID:

6833975

Name [?]:

N-(1H-pyridin-2-ylmethyl)-N'-(2-pyridylmethyl)propanediamide

SMILES [?]:

c1cc[nH+]c(c1)CNC(=O)CC(=O)NCc2ccccn2

InChi [?]:

InChI=1/C15H16N4O2/c20-14(18-10-12-5-1-3-7-16-12)9-15(21)19-11-13-6-2-4-8-17-13/h1-8H,9-11H2,(H,18,20)(H,19,21)/p+1

InChi Info:

AuxInfo=1/1/N:1,18,2,19,6,17,3,20,11,7,15,5,16,9,12,4,21,8,14,10,13/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/gE:(1,2)/rA:21nCCCN+CCCNCOCCONCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇N₄O₂₊
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	-24.3832
Area:	511.996
Solvation:	-37.1831
Coulombic:	-34.2674

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	285.321
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	0.38
LogP (Chemaxon):	-0.32

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

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Chemical Mix	Source	External ID	Descriptor	Value