N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide

C12H13F2N5O — CID 138016934

IUPACN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1cnn(C)c1C(F)F
InChIInChI=1S/C12H13F2N5O/c1-15-11-7(4-3-5-16-11)12(20)18-8-6-17-19(2)9(8)10(13)14/h3-6,10H,1-2H3,(H,15,16)(H,18,20)
InChIKeyZHRFBTRPAYLCLY-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.05
Rot. Bonds4

About N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide

N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 138016934) has the molecular formula C12H13F2N5O and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID138016934
Molecular FormulaC12H13F2N5O
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC NameN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)Nc1cnn(C)c1C(F)F
InChIInChI=1S/C12H13F2N5O/c1-15-11-7(4-3-5-16-11)12(20)18-8-6-17-19(2)9(8)10(13)14/h3-6,10H,1-2H3,(H,15,16)(H,18,20)
InChIKeyZHRFBTRPAYLCLY-UHFFFAOYSA-N
XLogP2.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
CID 166188378
N-[2-(dimethylamino)phenyl]-2-(methylamino)pyridine-3-carboxamide
CID 106760745
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
2-(methylamino)-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62913801
[4-[[2-(methylamino)pyridine-3-carbonyl]amino]phenyl] hypofluorite
CID 142179435
2-(methylamino)-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 124842063
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
N-(3,4-dimethylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173357
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 104725128
2-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 127824011

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide (CID 138016934) is N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)Nc1cnn(C)c1C(F)F.
What is the InChIKey of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is ZHRFBTRPAYLCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O/c1-15-11-7(4-3-5-16-11)12(20)18-8-6-17-19(2)9(8)10(13)14/h3-6,10H,1-2H3,(H,15,16)(H,18,20).
What are the key properties of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide?
N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138016934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).