1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide

C12H15N5O2 — CID 47182500

IUPAC1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCn2cncn2)cc1=O
InChIInChI=1S/C12H15N5O2/c1-16-6-3-10(7-11(16)18)12(19)14-4-2-5-17-9-13-8-15-17/h3,6-9H,2,4-5H2,1H3,(H,14,19)
InChIKeyUNQMGXKUZXFYEP-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.20
Rot. Bonds5

About 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 47182500) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
PubChem CID47182500
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCn2cncn2)cc1=O
InChIInChI=1S/C12H15N5O2/c1-16-6-3-10(7-11(16)18)12(19)14-4-2-5-17-9-13-8-15-17/h3,6-9H,2,4-5H2,1H3,(H,14,19)
InChIKeyUNQMGXKUZXFYEP-UHFFFAOYSA-N
XLogP-0.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 126807677
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
CID 51079304
N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103719329
1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 64532003
N-[3-(1,2,4-triazol-1-yl)propyl]pyrazine-2-carboxamide
CID 51079280
1-methyl-3-thiophen-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 91773983
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide (CID 47182500) is 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCCCn2cncn2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is UNQMGXKUZXFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16-6-3-10(7-11(16)18)12(19)14-4-2-5-17-9-13-8-15-17/h3,6-9H,2,4-5H2,1H3,(H,14,19).
What are the key properties of 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 47182500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).