4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide

C13H17ClN2O2 — CID 103742275

IUPAC4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(Cl)ccn2)C1(C)C
InChIInChI=1S/C13H17ClN2O2/c1-13(2)10(7-11(13)18-3)16-12(17)9-6-8(14)4-5-15-9/h4-6,10-11H,7H2,1-3H3,(H,16,17)
InChIKeyVFGNZUUKPWMPSZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.28
Rot. Bonds3

About 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide

4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (PubChem CID 103742275) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
PubChem CID103742275
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCOC1CC(NC(=O)c2cc(Cl)ccn2)C1(C)C
InChIInChI=1S/C13H17ClN2O2/c1-13(2)10(7-11(13)18-3)16-12(17)9-6-8(14)4-5-15-9/h4-6,10-11H,7H2,1-3H3,(H,16,17)
InChIKeyVFGNZUUKPWMPSZ-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742322
2-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 113255805
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742295
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitrobenzamide
CID 103742297
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
4-chloro-N-(3-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103708467
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103990210

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (CID 103742275) is 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is COC1CC(NC(=O)c2cc(Cl)ccn2)C1(C)C.
What is the InChIKey of 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is VFGNZUUKPWMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2)10(7-11(13)18-3)16-12(17)9-6-8(14)4-5-15-9/h4-6,10-11H,7H2,1-3H3,(H,16,17).
What are the key properties of 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103742275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).