2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide

C12H14Cl2N2O — CID 114545578

IUPAC2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O/c1-7-2-3-9(4-7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17)
InChIKeyJJZPWXOXRGPNLF-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.31
Rot. Bonds2

About 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide

2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide (PubChem CID 114545578) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
PubChem CID114545578
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O/c1-7-2-3-9(4-7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17)
InChIKeyJJZPWXOXRGPNLF-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.31
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

2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
3,5-dichloro-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114549918
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
2-tert-butyl-6-(methylamino)-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114540490
5-methyl-N-(3-methylcyclopentyl)furan-3-carboxamide
CID 114821709
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide (CID 114545578) is 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide is CC1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide?
The InChIKey is JJZPWXOXRGPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7-2-3-9(4-7)15-12(17)8-5-10(13)16-11(14)6-8/h5-7,9H,2-4H2,1H3,(H,15,17).
What are the key properties of 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide?
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide is sourced from PubChem (CID 114545578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).