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

C16H16N6O2 — CID 75448484

IUPAC2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(-c3nncn3C)ccn2)cc(=O)[nH]1
InChIInChI=1S/C16H16N6O2/c1-3-12-6-11(8-14(23)19-12)16(24)20-13-7-10(4-5-17-13)15-21-18-9-22(15)2/h4-9H,3H2,1-2H3,(H,19,23)(H,17,20,24)
InChIKeyWRQWNZXSRGZIMN-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.38
Rot. Bonds4

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

2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 75448484) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID75448484
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(-c3nncn3C)ccn2)cc(=O)[nH]1
InChIInChI=1S/C16H16N6O2/c1-3-12-6-11(8-14(23)19-12)16(24)20-13-7-10(4-5-17-13)15-21-18-9-22(15)2/h4-9H,3H2,1-2H3,(H,19,23)(H,17,20,24)
InChIKeyWRQWNZXSRGZIMN-UHFFFAOYSA-N
XLogP1.38
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide (CID 75448484) is 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)Nc2cc(-c3nncn3C)ccn2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is WRQWNZXSRGZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-3-12-6-11(8-14(23)19-12)16(24)20-13-7-10(4-5-17-13)15-21-18-9-22(15)2/h4-9H,3H2,1-2H3,(H,19,23)(H,17,20,24).
What are the key properties of 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide?
2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 75448484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).