N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide

C18H23N3O — CID 53054922

IUPACN-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
SMILESCc1ncccc1-n1cccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H23N3O/c1-14-16(10-6-12-19-14)21-13-7-11-17(21)18(22)20-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyCNZRJSYLNRDUSQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.63
Rot. Bonds3

About N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide

N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide (PubChem CID 53054922) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
PubChem CID53054922
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
SMILESCc1ncccc1-n1cccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H23N3O/c1-14-16(10-6-12-19-14)21-13-7-11-17(21)18(22)20-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,20,22)
InChIKeyCNZRJSYLNRDUSQ-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-cyclopropyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937066
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574692
N-cycloheptylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110855502
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
CID 20969483
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide (CID 53054922) is N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide is Cc1ncccc1-n1cccc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is CNZRJSYLNRDUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-16(10-6-12-19-14)21-13-7-11-17(21)18(22)20-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,20,22).
What are the key properties of N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53054922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).