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

C11H12N4O2 — CID 47364491

IUPACN-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C11H12N4O2/c1-15-7-8(5-14-15)4-13-11(17)9-2-3-10(16)12-6-9/h2-3,5-7H,4H2,1H3,(H,12,16)(H,13,17)
InChIKeyCEMDTGYTNNCVRD-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.04
Rot. Bonds3

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

N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47364491) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47364491
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(=O)[nH]c2)cn1
InChIInChI=1S/C11H12N4O2/c1-15-7-8(5-14-15)4-13-11(17)9-2-3-10(16)12-6-9/h2-3,5-7H,4H2,1H3,(H,12,16)(H,13,17)
InChIKeyCEMDTGYTNNCVRD-UHFFFAOYSA-N
XLogP0.04
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 31845207
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31846147
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47214951
5-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 53566944
6-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 72047283
6-methyl-2-oxo-N-(3-pyrazol-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 72049372
1-methyl-N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 75461476
1-Ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740886
1-Methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740889
4-hydroxy-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N,6-dimethylnicotinamide
CID 29257580
5-chloro-2-hydroxy-N-isopropyl-4,6-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]nicotinamide
CID 56865807
N-cyclohexyl-2-hydroxy-5,6-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]nicotinamide
CID 70768065

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 47364491) is N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cn1cc(CNC(=O)c2ccc(=O)[nH]c2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CEMDTGYTNNCVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-7-8(5-14-15)4-13-11(17)9-2-3-10(16)12-6-9/h2-3,5-7H,4H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47364491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).