1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

C11H13N5O2 — CID 64532003

IUPAC1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCc2ncn[nH]2)cc1=O
InChIInChI=1S/C11H13N5O2/c1-16-5-3-8(6-10(16)17)11(18)12-4-2-9-13-7-14-15-9/h3,5-7H,2,4H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyBZQFRPSVNAQKQY-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.52
Rot. Bonds4

About 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 64532003) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID64532003
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCc2ncn[nH]2)cc1=O
InChIInChI=1S/C11H13N5O2/c1-16-5-3-8(6-10(16)17)11(18)12-4-2-9-13-7-14-15-9/h3,5-7H,2,4H2,1H3,(H,12,18)(H,13,14,15)
InChIKeyBZQFRPSVNAQKQY-UHFFFAOYSA-N
XLogP-0.52
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 115283343
4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
4-chloro-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64545994
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-[2-(furan-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 113221314
3-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 77046410
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64547578

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (CID 64532003) is 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCCc2ncn[nH]2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is BZQFRPSVNAQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-5-3-8(6-10(16)17)11(18)12-4-2-9-13-7-14-15-9/h3,5-7H,2,4H2,1H3,(H,12,18)(H,13,14,15).
What are the key properties of 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 247.26 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 64532003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).