N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide

C13H17ClN2O2 — CID 105064491

IUPACN-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(C)CC1CC(Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-16(8-9-5-10(14)6-9)13(17)11-3-4-15-7-12(11)18-2/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyFEBRJXAUPARNNQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.18
Rot. Bonds4

About N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide

N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide (PubChem CID 105064491) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
PubChem CID105064491
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(C)CC1CC(Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-16(8-9-5-10(14)6-9)13(17)11-3-4-15-7-12(11)18-2/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyFEBRJXAUPARNNQ-UHFFFAOYSA-N
XLogP2.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-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

4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
N-[(3-bromocyclobutyl)methyl]-3-chloro-N-methylpyridine-4-carboxamide
CID 80673422
methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104672489
4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid
CID 105063090
N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105064483
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
CID 105063247
N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 80707237
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide (CID 105064491) is N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide is COc1cnccc1C(=O)N(C)CC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide?
The InChIKey is FEBRJXAUPARNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(8-9-5-10(14)6-9)13(17)11-3-4-15-7-12(11)18-2/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide?
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105064491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).