6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide

C14H17N5O2 — CID 75534495

IUPAC6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2nnc3n2CCCC3)c(=O)[nH]1
InChIInChI=1S/C14H17N5O2/c1-9-5-6-10(14(21)16-9)13(20)15-8-12-18-17-11-4-2-3-7-19(11)12/h5-6H,2-4,7-8H2,1H3,(H,15,20)(H,16,21)
InChIKeyXEPBZFNWFCOCHM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.54
Rot. Bonds3

About 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide

6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 75534495) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID75534495
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2nnc3n2CCCC3)c(=O)[nH]1
InChIInChI=1S/C14H17N5O2/c1-9-5-6-10(14(21)16-9)13(20)15-8-12-18-17-11-4-2-3-7-19(11)12/h5-6H,2-4,7-8H2,1H3,(H,15,20)(H,16,21)
InChIKeyXEPBZFNWFCOCHM-UHFFFAOYSA-N
XLogP0.54
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide (CID 75534495) is 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2nnc3n2CCCC3)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XEPBZFNWFCOCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-5-6-10(14(21)16-9)13(20)15-8-12-18-17-11-4-2-3-7-19(11)12/h5-6H,2-4,7-8H2,1H3,(H,15,20)(H,16,21).
What are the key properties of 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75534495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).