N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide

C13H17ClN2O — CID 106126288

IUPACN-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Cl)C2)ccn1
InChIInChI=1S/C13H17ClN2O/c1-9-6-11(4-5-15-9)13(17)16-8-10-2-3-12(14)7-10/h4-6,10,12H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyFTERPICBMIDYKU-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.53
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide

N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide (PubChem CID 106126288) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
PubChem CID106126288
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCC(Cl)C2)ccn1
InChIInChI=1S/C13H17ClN2O/c1-9-6-11(4-5-15-9)13(17)16-8-10-2-3-12(14)7-10/h4-6,10,12H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyFTERPICBMIDYKU-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
CID 106754219
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245
N-[(3-chlorocyclopentyl)methyl]-3-methyl-4-nitrobenzamide
CID 106126889
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 106127580
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane
CID 145078476
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide (CID 106126288) is N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCC2CCC(Cl)C2)ccn1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide?
The InChIKey is FTERPICBMIDYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-6-11(4-5-15-9)13(17)16-8-10-2-3-12(14)7-10/h4-6,10,12H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106126288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).