2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide

C15H19ClN2O — CID 113378374

IUPAC2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(C(=O)c1cc(C)nc(Cl)c1)C1CCCC1
InChIInChI=1S/C15H19ClN2O/c1-3-8-18(13-6-4-5-7-13)15(19)12-9-11(2)17-14(16)10-12/h3,9-10,13H,1,4-8H2,2H3
InChIKeyWGQQCJZFVTZWNS-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide

2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 113378374) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide
PubChem CID113378374
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(C(=O)c1cc(C)nc(Cl)c1)C1CCCC1
InChIInChI=1S/C15H19ClN2O/c1-3-8-18(13-6-4-5-7-13)15(19)12-9-11(2)17-14(16)10-12/h3,9-10,13H,1,4-8H2,2H3
InChIKeyWGQQCJZFVTZWNS-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492
N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 60959160
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
N-cyclopentyl-N-prop-2-enyl-1H-indole-5-carboxamide
CID 63717710
2-chloro-N-cyclohexyl-N-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 62248666
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580756
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
CID 103621937
N-cyclopentyl-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 54876844
N-cyclopentyl-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 51093124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide (CID 113378374) is 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide is C=CCN(C(=O)c1cc(C)nc(Cl)c1)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is WGQQCJZFVTZWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-8-18(13-6-4-5-7-13)15(19)12-9-11(2)17-14(16)10-12/h3,9-10,13H,1,4-8H2,2H3.
What are the key properties of 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide?
2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 113378374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).