6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

C26H24ClN3O3 — CID 86672527

IUPAC6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2C3CN(C(=O)c4ccc(C)c(NC(=O)c5ccc(Cl)nc5)c4)CC32)cc1
InChIInChI=1S/C26H24ClN3O3/c1-15-3-4-17(11-22(15)29-25(31)18-7-10-23(27)28-12-18)26(32)30-13-20-21(14-30)24(20)16-5-8-19(33-2)9-6-16/h3-12,20-21,24H,13-14H2,1-2H3,(H,29,31)
InChIKeyRHILBFMLNXNZJC-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.79
Rot. Bonds5

About 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide

6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 86672527) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID86672527
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2C3CN(C(=O)c4ccc(C)c(NC(=O)c5ccc(Cl)nc5)c4)CC32)cc1
InChIInChI=1S/C26H24ClN3O3/c1-15-3-4-17(11-22(15)29-25(31)18-7-10-23(27)28-12-18)26(32)30-13-20-21(14-30)24(20)16-5-8-19(33-2)9-6-16/h3-12,20-21,24H,13-14H2,1-2H3,(H,29,31)
InChIKeyRHILBFMLNXNZJC-UHFFFAOYSA-N
XLogP4.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 87727731
6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118144180
6-[[2,2-dimethyl-3-(methylamino)propyl]amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 143672762
6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118146951
6-[imidazol-1-yl(propyl)amino]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 69165670
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-5-methoxybenzamide
CID 112846199
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612
6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646006
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 89272958
4-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]pyridine-2-carboxamide
CID 87026950
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide (CID 86672527) is 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is COc1ccc(C2C3CN(C(=O)c4ccc(C)c(NC(=O)c5ccc(Cl)nc5)c4)CC32)cc1.
What is the InChIKey of 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is RHILBFMLNXNZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-15-3-4-17(11-22(15)29-25(31)18-7-10-23(27)28-12-18)26(32)30-13-20-21(14-30)24(20)16-5-8-19(33-2)9-6-16/h3-12,20-21,24H,13-14H2,1-2H3,(H,29,31).
What are the key properties of 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide?
6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86672527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).