6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide

C11H13ClN2O2 — CID 104578722

IUPAC6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H13ClN2O2/c1-16-9-4-8(5-9)14-11(15)7-2-3-10(12)13-6-7/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)
InChIKeyRPBQDWMJXHYCDF-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.64
Rot. Bonds3

About 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide

6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide (PubChem CID 104578722) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
PubChem CID104578722
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H13ClN2O2/c1-16-9-4-8(5-9)14-11(15)7-2-3-10(12)13-6-7/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)
InChIKeyRPBQDWMJXHYCDF-UHFFFAOYSA-N
XLogP1.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide
CID 114120797
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 104578357
methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
CID 117062757
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
CID 114118479
6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82726478

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide (CID 104578722) is 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide is COC1CC(NC(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide?
The InChIKey is RPBQDWMJXHYCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-16-9-4-8(5-9)14-11(15)7-2-3-10(12)13-6-7/h2-3,6,8-9H,4-5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide?
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 104578722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).