N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide

C28H31N3O2 — CID 1078846

IUPACN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C28H31N3O2/c1-20-13-15-23(16-14-20)31(26(32)24-12-5-8-19-29-24)28(17-6-4-7-18-28)27(33)30-25-21(2)10-9-11-22(25)3/h5,8-16,19H,4,6-7,17-18H2,1-3H3,(H,30,33)
InChIKeyLOTUBRNKNUJHMC-UHFFFAOYSA-N
MW441.58 g/mol
LogP6.00
Rot. Bonds5

About N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide

N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 1078846) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID1078846
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C28H31N3O2/c1-20-13-15-23(16-14-20)31(26(32)24-12-5-8-19-29-24)28(17-6-4-7-18-28)27(33)30-25-21(2)10-9-11-22(25)3/h5,8-16,19H,4,6-7,17-18H2,1-3H3,(H,30,33)
InChIKeyLOTUBRNKNUJHMC-UHFFFAOYSA-N
XLogP6.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide (CID 1078846) is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1.
What is the InChIKey of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is LOTUBRNKNUJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-20-13-15-23(16-14-20)31(26(32)24-12-5-8-19-29-24)28(17-6-4-7-18-28)27(33)30-25-21(2)10-9-11-22(25)3/h5,8-16,19H,4,6-7,17-18H2,1-3H3,(H,30,33).
What are the key properties of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide?
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 1078846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).