6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide

C13H10N6O2 — CID 61170515

IUPAC6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10N6O2/c20-11-4-3-9(6-16-11)13(21)18-10-2-1-5-15-12(10)19-8-14-7-17-19/h1-8H,(H,16,20)(H,18,21)
InChIKeySZSGFQFSDFDMPE-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.60
Rot. Bonds3

About 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide

6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide (PubChem CID 61170515) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide
PubChem CID61170515
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10N6O2/c20-11-4-3-9(6-16-11)13(21)18-10-2-1-5-15-12(10)19-8-14-7-17-19/h1-8H,(H,16,20)(H,18,21)
InChIKeySZSGFQFSDFDMPE-UHFFFAOYSA-N
XLogP0.60
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 61166742
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
2-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 79388465

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide (CID 61170515) is 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide is O=C(Nc1cccnc1-n1cncn1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide?
The InChIKey is SZSGFQFSDFDMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c20-11-4-3-9(6-16-11)13(21)18-10-2-1-5-15-12(10)19-8-14-7-17-19/h1-8H,(H,16,20)(H,18,21).
What are the key properties of 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61170515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).