N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C14H16F2N4O2 — CID 138026769

IUPACN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2cnn(C)c2C(F)F)c(=O)[nH]1
InChIInChI=1S/C14H16F2N4O2/c1-7(2)9-5-4-8(13(21)18-9)14(22)19-10-6-17-20(3)11(10)12(15)16/h4-7,12H,1-3H3,(H,18,21)(H,19,22)
InChIKeyNPPHMOKYNMFYAE-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.42
Rot. Bonds4

About N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 138026769) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID138026769
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC NameN-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2cnn(C)c2C(F)F)c(=O)[nH]1
InChIInChI=1S/C14H16F2N4O2/c1-7(2)9-5-4-8(13(21)18-9)14(22)19-10-6-17-20(3)11(10)12(15)16/h4-7,12H,1-3H3,(H,18,21)(H,19,22)
InChIKeyNPPHMOKYNMFYAE-UHFFFAOYSA-N
XLogP2.42
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 138026769) is N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)Nc2cnn(C)c2C(F)F)c(=O)[nH]1.
What is the InChIKey of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is NPPHMOKYNMFYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-7(2)9-5-4-8(13(21)18-9)14(22)19-10-6-17-20(3)11(10)12(15)16/h4-7,12H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 310.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138026769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).