4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C13H16N4O2 — CID 47002742

IUPAC4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2cn[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C13H16N4O2/c1-7-4-8(2)16-13(19)11(7)12(18)14-5-10-6-15-17-9(10)3/h4,6H,5H2,1-3H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyCBTICMKBJPXOLP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.95
Rot. Bonds3

About 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 47002742) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID47002742
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2cn[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C13H16N4O2/c1-7-4-8(2)16-13(19)11(7)12(18)14-5-10-6-15-17-9(10)3/h4,6H,5H2,1-3H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyCBTICMKBJPXOLP-UHFFFAOYSA-N
XLogP0.95
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 47002742) is 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCc2cn[nH]c2C)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CBTICMKBJPXOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-4-8(2)16-13(19)11(7)12(18)14-5-10-6-15-17-9(10)3/h4,6H,5H2,1-3H3,(H,14,18)(H,15,17)(H,16,19).
What are the key properties of 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47002742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).