3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H14N6O2 — CID 157019171

IUPAC3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1cccc1-c1nnc2ccc(C(=O)NCc3cnoc3)cn12
InChIInChI=1S/C16H14N6O2/c1-21-6-2-3-13(21)15-20-19-14-5-4-12(9-22(14)15)16(23)17-7-11-8-18-24-10-11/h2-6,8-10H,7H2,1H3,(H,17,23)
InChIKeyPVGFDZJQFGMLOO-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.65
Rot. Bonds4

About 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 157019171) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID157019171
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1cccc1-c1nnc2ccc(C(=O)NCc3cnoc3)cn12
InChIInChI=1S/C16H14N6O2/c1-21-6-2-3-13(21)15-20-19-14-5-4-12(9-22(14)15)16(23)17-7-11-8-18-24-10-11/h2-6,8-10H,7H2,1H3,(H,17,23)
InChIKeyPVGFDZJQFGMLOO-UHFFFAOYSA-N
XLogP1.65
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 157019171) is 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cn1cccc1-c1nnc2ccc(C(=O)NCc3cnoc3)cn12.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is PVGFDZJQFGMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-21-6-2-3-13(21)15-20-19-14-5-4-12(9-22(14)15)16(23)17-7-11-8-18-24-10-11/h2-6,8-10H,7H2,1H3,(H,17,23).
What are the key properties of 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-N-(1,2-oxazol-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 157019171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).