N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

C23H22N6O3 — CID 176594506

About N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (PubChem CID 176594506) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• PubChem CID: 176594506
• Molecular Formula: C23H22N6O3
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.18
• IUPAC Name: N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• SMILES: COc1ccc(-c2ccc3nc(N)nn3c2)cc1NC(=O)N1OCCC1c1ccccc1
• InChI: InChI=1S/C23H22N6O3/c1-31-20-9-7-16(17-8-10-21-26-22(24)27-28(21)14-17)13-18(20)25-23(30)29-19(11-12-32-29)15-5-3-2-4-6-15/h2-10,13-14,19H,11-12H2,1H3,(H2,24,27)(H,25,30)
• InChIKey: XTKVGCBAIGASQP-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 107.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (CID 176594506) is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

What is the SMILES notation for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The canonical SMILES for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is COc1ccc(-c2ccc3nc(N)nn3c2)cc1NC(=O)N1OCCC1c1ccccc1.

What is the InChIKey of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The InChIKey is XTKVGCBAIGASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-31-20-9-7-16(17-8-10-21-26-22(24)27-28(21)14-17)13-18(20)25-23(30)29-19(11-12-32-29)15-5-3-2-4-6-15/h2-10,13-14,19H,11-12H2,1H3,(H2,24,27)(H,25,30).

What are the key properties of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 176594506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).