4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide

C18H12ClN5O — CID 165415051

IUPAC4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)ccn1
InChIInChI=1S/C18H12ClN5O/c19-13-6-8-20-15(10-13)18(25)21-14-7-9-24-16(11-14)22-17(23-24)12-4-2-1-3-5-12/h1-11H,(H,21,25)
InChIKeySBCUVVSCEYPGER-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide

4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide (PubChem CID 165415051) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide
PubChem CID165415051
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC Name4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)ccn1
InChIInChI=1S/C18H12ClN5O/c19-13-6-8-20-15(10-13)18(25)21-14-7-9-24-16(11-14)22-17(23-24)12-4-2-1-3-5-12/h1-11H,(H,21,25)
InChIKeySBCUVVSCEYPGER-UHFFFAOYSA-N
XLogP3.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide (CID 165415051) is 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide is O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide?
The InChIKey is SBCUVVSCEYPGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-13-6-8-20-15(10-13)18(25)21-14-7-9-24-16(11-14)22-17(23-24)12-4-2-1-3-5-12/h1-11H,(H,21,25).
What are the key properties of 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide?
4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165415051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).