N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide

C13H17ClN2O — CID 106127191

IUPACN-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCC(Cl)C2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-2-4-11(8-15-9)13(17)16-7-10-3-5-12(14)6-10/h2,4,8,10,12H,3,5-7H2,1H3,(H,16,17)
InChIKeyKBAWUVXMPNTDAQ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.53
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide

N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 106127191) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID106127191
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCC(Cl)C2)cn1
InChIInChI=1S/C13H17ClN2O/c1-9-2-4-11(8-15-9)13(17)16-7-10-3-5-12(14)6-10/h2,4,8,10,12H,3,5-7H2,1H3,(H,16,17)
InChIKeyKBAWUVXMPNTDAQ-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-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
3,5-dichloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 114147068
N-[(3-chlorocyclopentyl)methyl]-3-methyl-4-nitrobenzamide
CID 106126889
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide
CID 103279982
N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 106127007
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 106127580
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide (CID 106127191) is N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCC(Cl)C2)cn1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is KBAWUVXMPNTDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-2-4-11(8-15-9)13(17)16-7-10-3-5-12(14)6-10/h2,4,8,10,12H,3,5-7H2,1H3,(H,16,17).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-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]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 106127191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).