4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C22H25N3O2 — CID 108787993

About 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108787993) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
• PubChem CID: 108787993
• Molecular Formula: C22H25N3O2
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.19
• IUPAC Name: 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
• SMILES: CC(NC(=O)C1(C)CC(=O)N=C2C=CC=CN21)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C22H25N3O2/c1-15(17-11-10-16-7-3-4-8-18(16)13-17)23-21(27)22(2)14-20(26)24-19-9-5-6-12-25(19)22/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,23,27)
• InChIKey: SRUGKXYABOWZDR-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

The IUPAC name of 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108787993) is 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

What is the SMILES notation for 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

The canonical SMILES for 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC(NC(=O)C1(C)CC(=O)N=C2C=CC=CN21)c1ccc2c(c1)CCCC2.

What is the InChIKey of 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

The InChIKey is SRUGKXYABOWZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(17-11-10-16-7-3-4-8-18(16)13-17)23-21(27)22(2)14-20(26)24-19-9-5-6-12-25(19)22/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,23,27).

What are the key properties of 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?

4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108787993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).