N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide

C13H17ClN2O — CID 115364055

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CCl)CCCC1)c1cccnc1
InChIInChI=1S/C13H17ClN2O/c14-9-13(5-1-2-6-13)10-16-12(17)11-4-3-7-15-8-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyURHXYNZUGSDGBL-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.61
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide

N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide (PubChem CID 115364055) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
PubChem CID115364055
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CCl)CCCC1)c1cccnc1
InChIInChI=1S/C13H17ClN2O/c14-9-13(5-1-2-6-13)10-16-12(17)11-4-3-7-15-8-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyURHXYNZUGSDGBL-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide (CID 115364055) is N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide is O=C(NCC1(CCl)CCCC1)c1cccnc1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The InChIKey is URHXYNZUGSDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-9-13(5-1-2-6-13)10-16-12(17)11-4-3-7-15-8-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 115364055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).