2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide

C21H27N3O — CID 44759502

IUPAC2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2ncccc2C(=O)NC2CCC(C)CC2)c1C
InChIInChI=1S/C21H27N3O/c1-14-9-11-17(12-10-14)23-21(25)18-7-5-13-22-20(18)24-19-8-4-6-15(2)16(19)3/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWWCXMILNUSBWJB-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.75
Rot. Bonds4

About 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide

2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 44759502) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID44759502
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2ncccc2C(=O)NC2CCC(C)CC2)c1C
InChIInChI=1S/C21H27N3O/c1-14-9-11-17(12-10-14)23-21(25)18-7-5-13-22-20(18)24-19-8-4-6-15(2)16(19)3/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWWCXMILNUSBWJB-UHFFFAOYSA-N
XLogP4.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide (CID 44759502) is 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide is Cc1cccc(Nc2ncccc2C(=O)NC2CCC(C)CC2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is WWCXMILNUSBWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-9-11-17(12-10-14)23-21(25)18-7-5-13-22-20(18)24-19-8-4-6-15(2)16(19)3/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide?
2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 44759502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).