[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone

C28H28N4O — CID 42788651

About [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone

[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone (PubChem CID 42788651) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone.

Molecular Properties

• Compound Name: [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone
• PubChem CID: 42788651
• Molecular Formula: C28H28N4O
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.23
• IUPAC Name: [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone
• SMILES: CC(C)N(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)c1ccc3ccccc3c1)CC2
• InChI: InChI=1S/C28H28N4O/c1-19(2)31(3)27-24-18-32(28(33)23-14-13-20-9-7-8-12-22(20)17-23)16-15-25(24)29-26(30-27)21-10-5-4-6-11-21/h4-14,17,19H,15-16,18H2,1-3H3
• InChIKey: OMQPJJQWRVGFHY-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone?

The IUPAC name of [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone (CID 42788651) is [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone.

What is the SMILES notation for [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone?

The canonical SMILES for [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone is CC(C)N(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)c1ccc3ccccc3c1)CC2.

What is the InChIKey of [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone?

The InChIKey is OMQPJJQWRVGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c1-19(2)31(3)27-24-18-32(28(33)23-14-13-20-9-7-8-12-22(20)17-23)16-15-25(24)29-26(30-27)21-10-5-4-6-11-21/h4-14,17,19H,15-16,18H2,1-3H3.

What are the key properties of [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone?

[4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone has a molecular weight of 436.56 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[methyl(propan-2-yl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 42788651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).