N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide

C10H13ClN2O2 — CID 62873972

IUPACN-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCCl
InChIInChI=1S/C10H13ClN2O2/c1-15-10-8(4-2-6-13-10)9(14)12-7-3-5-11/h2,4,6H,3,5,7H2,1H3,(H,12,14)
InChIKeyQGOQASLREOEWEN-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.45
Rot. Bonds5

About N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide

N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide (PubChem CID 62873972) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
PubChem CID62873972
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCCl
InChIInChI=1S/C10H13ClN2O2/c1-15-10-8(4-2-6-13-10)9(14)12-7-3-5-11/h2,4,6H,3,5,7H2,1H3,(H,12,14)
InChIKeyQGOQASLREOEWEN-UHFFFAOYSA-N
XLogP1.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-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

N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
CID 63284776
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
N-(3-bromo-2,2-dimethylpropyl)-2-methoxypyridine-3-carboxamide
CID 115364804
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
CID 52807858
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide (CID 62873972) is N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is QGOQASLREOEWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-15-10-8(4-2-6-13-10)9(14)12-7-3-5-11/h2,4,6H,3,5,7H2,1H3,(H,12,14).
What are the key properties of N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide?
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62873972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).