2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid

C19H13N5O3 — CID 165415004

IUPAC2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H13N5O3/c25-18(16-14(19(26)27)7-4-9-20-16)21-13-8-10-24-15(11-13)22-17(23-24)12-5-2-1-3-6-12/h1-11H,(H,21,25)(H,26,27)
InChIKeyCBRARVPIWQXSFG-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.74
Rot. Bonds4

About 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid

2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 165415004) has the molecular formula C19H13N5O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID165415004
Molecular FormulaC19H13N5O3
Molecular Weight359.35 g/mol
Exact Mass359.10
IUPAC Name2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H13N5O3/c25-18(16-14(19(26)27)7-4-9-20-16)21-13-8-10-24-15(11-13)22-17(23-24)12-5-2-1-3-6-12/h1-11H,(H,21,25)(H,26,27)
InChIKeyCBRARVPIWQXSFG-UHFFFAOYSA-N
XLogP2.74
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid (CID 165415004) is 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is CBRARVPIWQXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3/c25-18(16-14(19(26)27)7-4-9-20-16)21-13-8-10-24-15(11-13)22-17(23-24)12-5-2-1-3-6-12/h1-11H,(H,21,25)(H,26,27).
What are the key properties of 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 359.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 165415004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).