N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide

C12H14F2N2O — CID 105381168

IUPACN-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
SMILESCN(CC1CCC1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H14F2N2O/c1-16(7-8-3-2-4-8)12(17)9-5-6-15-11(14)10(9)13/h5-6,8H,2-4,7H2,1H3
InChIKeyWRNSZKNUNHIJDH-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.23
Rot. Bonds3

About N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide

N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide (PubChem CID 105381168) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
PubChem CID105381168
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
SMILESCN(CC1CCC1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H14F2N2O/c1-16(7-8-3-2-4-8)12(17)9-5-6-15-11(14)10(9)13/h5-6,8H,2-4,7H2,1H3
InChIKeyWRNSZKNUNHIJDH-UHFFFAOYSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 105386353
N-cyclopropyl-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380342
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 79886002
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
N-[2-(dimethylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380365
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide (CID 105381168) is N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide is CN(CC1CCC1)C(=O)c1ccnc(F)c1F.
What is the InChIKey of N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
The InChIKey is WRNSZKNUNHIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-16(7-8-3-2-4-8)12(17)9-5-6-15-11(14)10(9)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105381168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).