6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide

C15H21ClN2O — CID 58731796

IUPAC6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Cl)ncc1C(=O)NCC1CCCC1
InChIInChI=1S/C15H21ClN2O/c1-10(2)12-7-14(16)17-9-13(12)15(19)18-8-11-5-3-4-6-11/h7,9-11H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyNPAXHGBKPBGXEW-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.78
Rot. Bonds4

About 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide

6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 58731796) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID58731796
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Cl)ncc1C(=O)NCC1CCCC1
InChIInChI=1S/C15H21ClN2O/c1-10(2)12-7-14(16)17-9-13(12)15(19)18-8-11-5-3-4-6-11/h7,9-11H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyNPAXHGBKPBGXEW-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731760
6-(3-chloro-4-methylanilino)-N-(cyclopropylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 59842343
5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 176871377
6-(4-cyano-2-fluoroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731665
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
6-(2-chloro-5-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731732
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006
6-[(3,7-dichlorocyclohepta-1,6-dien-1-yl)amino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 142877799
6-[2-bromo-4-(trifluoromethoxy)anilino]-N-(cyclobutylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731844

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide (CID 58731796) is 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Cl)ncc1C(=O)NCC1CCCC1.
What is the InChIKey of 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is NPAXHGBKPBGXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10(2)12-7-14(16)17-9-13(12)15(19)18-8-11-5-3-4-6-11/h7,9-11H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 58731796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).