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

C20H15N5O3 — CID 165415149

IUPACmethyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H15N5O3/c1-28-20(27)15-8-5-10-21-17(15)19(26)22-14-9-11-25-16(12-14)23-18(24-25)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,26)
InChIKeySPLUHWCDOZRVNQ-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.83
Rot. Bonds4

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

methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate (PubChem CID 165415149) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate
PubChem CID165415149
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Namemethyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H15N5O3/c1-28-20(27)15-8-5-10-21-17(15)19(26)22-14-9-11-25-16(12-14)23-18(24-25)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,26)
InChIKeySPLUHWCDOZRVNQ-UHFFFAOYSA-N
XLogP2.83
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate (CID 165415149) is methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1cccnc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is SPLUHWCDOZRVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-28-20(27)15-8-5-10-21-17(15)19(26)22-14-9-11-25-16(12-14)23-18(24-25)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,26).
What are the key properties of methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate?
methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 373.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 165415149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).