9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H19N5O3 — CID 92614316

About 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 92614316) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 92614316
• Molecular Formula: C21H19N5O3
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.15
• IUPAC Name: 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: Cc1cccc(-c2noc([C@H](C)NC(=O)c3cnc4c(C)cccn4c3=O)n2)c1
• InChI: InChI=1S/C21H19N5O3/c1-12-6-4-8-15(10-12)17-24-20(29-25-17)14(3)23-19(27)16-11-22-18-13(2)7-5-9-26(18)21(16)28/h4-11,14H,1-3H3,(H,23,27)/t14-/m0/s1
• InChIKey: KGKRYSLTEQWEGY-AWEZNQCLSA-N
• XLogP: 2.85
• TPSA: 102.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 92614316) is 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc(-c2noc([C@H](C)NC(=O)c3cnc4c(C)cccn4c3=O)n2)c1.

What is the InChIKey of 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is KGKRYSLTEQWEGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-6-4-8-15(10-12)17-24-20(29-25-17)14(3)23-19(27)16-11-22-18-13(2)7-5-9-26(18)21(16)28/h4-11,14H,1-3H3,(H,23,27)/t14-/m0/s1.

What are the key properties of 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?

9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 92614316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).