N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide

C12H14N4O2 — CID 106106203

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2cccc(=O)[nH]2)n1
InChIInChI=1S/C12H14N4O2/c1-16-8-6-9(15-16)5-7-13-12(18)10-3-2-4-11(17)14-10/h2-4,6,8H,5,7H2,1H3,(H,13,18)(H,14,17)
InChIKeyJFNUVACMBUENHD-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.08
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide

N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 106106203) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID106106203
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2cccc(=O)[nH]2)n1
InChIInChI=1S/C12H14N4O2/c1-16-8-6-9(15-16)5-7-13-12(18)10-3-2-4-11(17)14-10/h2-4,6,8H,5,7H2,1H3,(H,13,18)(H,14,17)
InChIKeyJFNUVACMBUENHD-UHFFFAOYSA-N
XLogP0.08
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 113434600
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106200
6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104627180
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627123
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103852

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (CID 106106203) is N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is Cn1ccc(CCNC(=O)c2cccc(=O)[nH]2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is JFNUVACMBUENHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-8-6-9(15-16)5-7-13-12(18)10-3-2-4-11(17)14-10/h2-4,6,8H,5,7H2,1H3,(H,13,18)(H,14,17).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 106106203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).