N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

C17H21N3O — CID 53159731

IUPACN-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O/c1-20-12-14(13-7-9-18-10-8-13)11-16(20)17(21)19-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,21)
InChIKeyLFQUOCFWYTUTAD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.15
Rot. Bonds3

About N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide

N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 53159731) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID53159731
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCn1cc(-c2ccncc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H21N3O/c1-20-12-14(13-7-9-18-10-8-13)11-16(20)17(21)19-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,21)
InChIKeyLFQUOCFWYTUTAD-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexylpyridine-4-carboxamide
CID 3436730
1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159749
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 53159731) is N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is Cn1cc(-c2ccncc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is LFQUOCFWYTUTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20-12-14(13-7-9-18-10-8-13)11-16(20)17(21)19-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide?
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53159731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).