2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C29H38N4O — CID 142510986

About 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142510986) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 142510986
• Molecular Formula: C29H38N4O
• Molecular Weight: 458.65 g/mol
• Exact Mass: 458.30
• IUPAC Name: 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: C=C1C(C)=CC(c2cc(=O)n3cc(C4CCN(CC)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC
• InChI: InChI=1S/C29H38N4O/c1-7-20(3)22(5)17-32-18-26(15-21(4)23(32)6)27-16-29(34)33-19-25(9-10-28(33)30-27)24-11-13-31(8-2)14-12-24/h9-10,15-20,24H,6-8,11-14H2,1-5H3/b22-17-
• InChIKey: YBNBULOWBFEJGB-XLNRJJMWSA-N
• XLogP: 5.96
• TPSA: 40.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.65
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 142510986) is 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is C=C1C(C)=CC(c2cc(=O)n3cc(C4CCN(CC)CC4)ccc3n2)=CN1/C=C(/C)C(C)CC.

What is the InChIKey of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is YBNBULOWBFEJGB-XLNRJJMWSA-N. The full InChI is InChI=1S/C29H38N4O/c1-7-20(3)22(5)17-32-18-26(15-21(4)23(32)6)27-16-29(34)33-19-25(9-10-28(33)30-27)24-11-13-31(8-2)14-12-24/h9-10,15-20,24H,6-8,11-14H2,1-5H3/b22-17-.

What are the key properties of 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?

2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 458.65 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidene-3-pyridinyl]-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142510986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).