N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide

C20H20N4O — CID 125161692

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide
SMILESN#Cc1ncccc1-c1cccc(C(=O)N[C@H]2CN3CCC2CC3)c1
InChIInChI=1S/C20H20N4O/c21-12-18-17(5-2-8-22-18)15-3-1-4-16(11-15)20(25)23-19-13-24-9-6-14(19)7-10-24/h1-5,8,11,14,19H,6-7,9-10,13H2,(H,23,25)/t19-/m0/s1
InChIKeyWTYDLTAKFWSRSF-IBGZPJMESA-N
MW332.41 g/mol
LogP2.44
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide (PubChem CID 125161692) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide
PubChem CID125161692
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide
SMILESN#Cc1ncccc1-c1cccc(C(=O)N[C@H]2CN3CCC2CC3)c1
InChIInChI=1S/C20H20N4O/c21-12-18-17(5-2-8-22-18)15-3-1-4-16(11-15)20(25)23-19-13-24-9-6-14(19)7-10-24/h1-5,8,11,14,19H,6-7,9-10,13H2,(H,23,25)/t19-/m0/s1
InChIKeyWTYDLTAKFWSRSF-IBGZPJMESA-N
XLogP2.44
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[3-(2-cyano-3-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
CID 118772494
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,5-dichlorophenyl)benzamide
CID 23599460
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-[3-(1-cyanoethenyl)phenyl]-1H-indene-2-carboxamide
CID 142838836
3-[2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]-1-benzofuran-7-yl]benzoic acid;hydrochloride
CID 67313952
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyanoisoquinoline-3-carboxamide
CID 22243256
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-cyanophenyl)-1,3-thiazole-2-carboxamide
CID 18182081
3-[2-[[(7S)-1-azabicyclo[4.2.2]decan-7-yl]carbamoyl]-1-benzofuran-7-yl]benzoic acid
CID 70816817

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide (CID 125161692) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide is N#Cc1ncccc1-c1cccc(C(=O)N[C@H]2CN3CCC2CC3)c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide?
The InChIKey is WTYDLTAKFWSRSF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N4O/c21-12-18-17(5-2-8-22-18)15-3-1-4-16(11-15)20(25)23-19-13-24-9-6-14(19)7-10-24/h1-5,8,11,14,19H,6-7,9-10,13H2,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide is sourced from PubChem (CID 125161692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).