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

C18H17N5O2 — CID 91889020

IUPAC2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C18H17N5O2/c24-17-14(4-3-10-19-17)18(25)20-13-8-6-12(7-9-13)16-22-21-15-5-1-2-11-23(15)16/h3-4,6-10H,1-2,5,11H2,(H,19,24)(H,20,25)
InChIKeyRTCDNHXJGPJPNO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.22
Rot. Bonds3

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

2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 91889020) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide
PubChem CID91889020
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc[nH]c1=O
InChIInChI=1S/C18H17N5O2/c24-17-14(4-3-10-19-17)18(25)20-13-8-6-12(7-9-13)16-22-21-15-5-1-2-11-23(15)16/h3-4,6-10H,1-2,5,11H2,(H,19,24)(H,20,25)
InChIKeyRTCDNHXJGPJPNO-UHFFFAOYSA-N
XLogP2.22
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide (CID 91889020) is 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide is O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is RTCDNHXJGPJPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17-14(4-3-10-19-17)18(25)20-13-8-6-12(7-9-13)16-22-21-15-5-1-2-11-23(15)16/h3-4,6-10H,1-2,5,11H2,(H,19,24)(H,20,25).
What are the key properties of 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91889020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).