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Chemical ID: 6733115

Chemical ID:

6733115

Name [?]:

4-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)-2,3,5,6-tetrahydropyridine-4-carboxamide

SMILES [?]:

C1CC[NH+](CC1)C2(CC[NH2+]CC2)C(=O)N

InChi [?]:

InChI=1/C11H21N3O/c12-10(15)11(4-6-13-7-5-11)14-8-2-1-3-9-14/h13H,1-9H2,(H2,12,15)/p+2

InChi Info:

AuxInfo=1/1/N:1,2,6,8,12,9,11,3,5,13,7,15,10,4,14/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCN+CCCCCN+CCCON/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s7;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₂₃N₃O+2
All Atoms:	38
Heavy Atoms:	15
Chiral Atoms:	0

ZAP Information [?]

Total:	-90.3201
Area:	359.42
Solvation:	-99.3056
Coulombic:	82.4734

Bond Count [?]

All:	16
Single:	15
Double:	1
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	213.32
H-Bond Donors:	5
H-Bond Acceptors:	4
XLogP:	-0.51
LogP (Chemaxon):	-0.85

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