6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide

C25H29N5O2 — CID 118902251

IUPAC6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1ccc(-c2cccc(C(=O)NC3CCCCC3)c2)nc1
InChIInChI=1S/C25H29N5O2/c1-29(15-16-30-14-6-13-27-30)25(32)21-11-12-23(26-18-21)19-7-5-8-20(17-19)24(31)28-22-9-3-2-4-10-22/h5-8,11-14,17-18,22H,2-4,9-10,15-16H2,1H3,(H,28,31)
InChIKeyWHWMQARWVOOSFY-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.78
Rot. Bonds7

About 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide

6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide (PubChem CID 118902251) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
PubChem CID118902251
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1ccc(-c2cccc(C(=O)NC3CCCCC3)c2)nc1
InChIInChI=1S/C25H29N5O2/c1-29(15-16-30-14-6-13-27-30)25(32)21-11-12-23(26-18-21)19-7-5-8-20(17-19)24(31)28-22-9-3-2-4-10-22/h5-8,11-14,17-18,22H,2-4,9-10,15-16H2,1H3,(H,28,31)
InChIKeyWHWMQARWVOOSFY-UHFFFAOYSA-N
XLogP3.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide (CID 118902251) is 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide is CN(CCn1cccn1)C(=O)c1ccc(-c2cccc(C(=O)NC3CCCCC3)c2)nc1.
What is the InChIKey of 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is WHWMQARWVOOSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-29(15-16-30-14-6-13-27-30)25(32)21-11-12-23(26-18-21)19-7-5-8-20(17-19)24(31)28-22-9-3-2-4-10-22/h5-8,11-14,17-18,22H,2-4,9-10,15-16H2,1H3,(H,28,31).
What are the key properties of 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide?
6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclohexylcarbamoyl)phenyl]-N-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118902251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).