N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

C13H16N4O2 — CID 86286935

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cn(C)nc2C)cc(=O)[nH]1
InChIInChI=1S/C13H16N4O2/c1-8-4-10(5-12(18)15-8)13(19)14-6-11-7-17(3)16-9(11)2/h4-5,7H,6H2,1-3H3,(H,14,19)(H,15,18)
InChIKeyNYUYOHZNHCKKHR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.66
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 86286935) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID86286935
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cn(C)nc2C)cc(=O)[nH]1
InChIInChI=1S/C13H16N4O2/c1-8-4-10(5-12(18)15-8)13(19)14-6-11-7-17(3)16-9(11)2/h4-5,7H,6H2,1-3H3,(H,14,19)(H,15,18)
InChIKeyNYUYOHZNHCKKHR-UHFFFAOYSA-N
XLogP0.66
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 86286935) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cn(C)nc2C)cc(=O)[nH]1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is NYUYOHZNHCKKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-4-10(5-12(18)15-8)13(19)14-6-11-7-17(3)16-9(11)2/h4-5,7H,6H2,1-3H3,(H,14,19)(H,15,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 86286935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).