2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

C11H10F2N4O — CID 105381264

IUPAC2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C11H10F2N4O/c1-17(6-7-4-15-16-5-7)11(18)8-2-3-14-10(13)9(8)12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJRCFWUBPFIFYDZ-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.36
Rot. Bonds3

About 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 105381264) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID105381264
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cn[nH]c1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C11H10F2N4O/c1-17(6-7-4-15-16-5-7)11(18)8-2-3-14-10(13)9(8)12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyJRCFWUBPFIFYDZ-UHFFFAOYSA-N
XLogP1.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.36
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

2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
2-fluoro-4-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107676711
2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979
methyl 3-[(2,3-difluoropyridine-4-carbonyl)-methylamino]propanoate
CID 105381063
N-[2-(dimethylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380365
2-fluoro-N,3-dimethyl-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103297391
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
2-amino-3-chloro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113331776
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
CID 110851104
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 102737443
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (CID 105381264) is 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is CN(Cc1cn[nH]c1)C(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is JRCFWUBPFIFYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c1-17(6-7-4-15-16-5-7)11(18)8-2-3-14-10(13)9(8)12/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105381264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).