N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

C12H14N4O2 — CID 103337525

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cnn(CCNC(=O)c2c[nH]ccc2=O)c1
InChIInChI=1S/C12H14N4O2/c1-9-6-15-16(8-9)5-4-14-12(18)10-7-13-3-2-11(10)17/h2-3,6-8H,4-5H2,1H3,(H,13,17)(H,14,18)
InChIKeyRFRWAKDAKGAUDF-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.31
Rot. Bonds4

About N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337525) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337525
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cnn(CCNC(=O)c2c[nH]ccc2=O)c1
InChIInChI=1S/C12H14N4O2/c1-9-6-15-16(8-9)5-4-14-12(18)10-7-13-3-2-11(10)17/h2-3,6-8H,4-5H2,1H3,(H,13,17)(H,14,18)
InChIKeyRFRWAKDAKGAUDF-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide
CID 103707551
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-sulfanylbenzamide
CID 114130493
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 86968215
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
4-oxo-N-(2-sulfamoylethyl)-1H-pyridine-3-carboxamide
CID 103386588
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 114130254
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114130714
4,5-dibromo-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113237995

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103337525) is N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cnn(CCNC(=O)c2c[nH]ccc2=O)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RFRWAKDAKGAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-6-15-16(8-9)5-4-14-12(18)10-7-13-3-2-11(10)17/h2-3,6-8H,4-5H2,1H3,(H,13,17)(H,14,18).
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).