N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide

C14H19ClN2O2 — CID 113273848

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCCC1CCl
InChIInChI=1S/C14H19ClN2O2/c1-19-14-12(6-3-7-16-14)13(18)17-9-11-5-2-4-10(11)8-15/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,17,18)
InChIKeyNFAMIVPLLDBWER-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.48
Rot. Bonds5

About N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 113273848) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID113273848
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCCC1CCl
InChIInChI=1S/C14H19ClN2O2/c1-19-14-12(6-3-7-16-14)13(18)17-9-11-5-2-4-10(11)8-15/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,17,18)
InChIKeyNFAMIVPLLDBWER-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-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

2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 114148107
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(3-bromo-2,2-dimethylpropyl)-2-methoxypyridine-3-carboxamide
CID 115364804
N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111540624
2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 167756958
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide (CID 113273848) is N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC1CCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is NFAMIVPLLDBWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-14-12(6-3-7-16-14)13(18)17-9-11-5-2-4-10(11)8-15/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 113273848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).