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

C12H14N4O2 — CID 47141679

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N4O2/c1-15(7-9-5-14-16(2)8-9)12(18)10-3-4-11(17)13-6-10/h3-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyIRJTUJJXVCMUFG-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.38
Rot. Bonds3

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47141679) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47141679
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N4O2/c1-15(7-9-5-14-16(2)8-9)12(18)10-3-4-11(17)13-6-10/h3-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyIRJTUJJXVCMUFG-UHFFFAOYSA-N
XLogP0.38
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 47141679) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IRJTUJJXVCMUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-15(7-9-5-14-16(2)8-9)12(18)10-3-4-11(17)13-6-10/h3-6,8H,7H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).