N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

C23H22N4O — CID 176940128

IUPACN-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCc1cnc(NC(=O)N2CC3CCC2c2ccccc23)cc1-c1ccccn1
InChIInChI=1S/C23H22N4O/c1-15-13-25-22(12-19(15)20-8-4-5-11-24-20)26-23(28)27-14-16-9-10-21(27)18-7-3-2-6-17(16)18/h2-8,11-13,16,21H,9-10,14H2,1H3,(H,25,26,28)
InChIKeyZPBGIDHNIJZUHQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.92
Rot. Bonds2

About N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (PubChem CID 176940128) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
PubChem CID176940128
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCc1cnc(NC(=O)N2CC3CCC2c2ccccc23)cc1-c1ccccn1
InChIInChI=1S/C23H22N4O/c1-15-13-25-22(12-19(15)20-8-4-5-11-24-20)26-23(28)27-14-16-9-10-21(27)18-7-3-2-6-17(16)18/h2-8,11-13,16,21H,9-10,14H2,1H3,(H,25,26,28)
InChIKeyZPBGIDHNIJZUHQ-UHFFFAOYSA-N
XLogP4.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
CID 176940173
2-ethyl-4-methyl-N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)azetidine-1-carboxamide;molecular hydrogen
CID 176940060
N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
CID 169176045
6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 169177069
(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169177060
(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide
CID 169175983
(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169175961
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
N-(3,4-dimethyl-5-pyridin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169175904
2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47849269
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
CID 169176404
2-cyclobutyl-N-(4-methyl-3-pyridin-2-ylphenyl)acetamide
CID 169175816

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The IUPAC name of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (CID 176940128) is N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.
What is the SMILES notation for N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The canonical SMILES for N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is Cc1cnc(NC(=O)N2CC3CCC2c2ccccc23)cc1-c1ccccn1.
What is the InChIKey of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The InChIKey is ZPBGIDHNIJZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-13-25-22(12-19(15)20-8-4-5-11-24-20)26-23(28)27-14-16-9-10-21(27)18-7-3-2-6-17(16)18/h2-8,11-13,16,21H,9-10,14H2,1H3,(H,25,26,28).
What are the key properties of N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-pyridin-2-yl-2-pyridinyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is sourced from PubChem (CID 176940128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).