2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C29H29N5O2 — CID 42871047

About 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42871047) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 42871047
• Molecular Formula: C29H29N5O2
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.23
• IUPAC Name: 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1cccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)c1
• InChI: InChI=1S/C29H29N5O2/c1-21-10-9-15-24(18-21)36-27-25-20-34(29(35)30-23-13-7-4-8-14-23)17-16-26(25)31-28(32-27)33(2)19-22-11-5-3-6-12-22/h3-15,18H,16-17,19-20H2,1-2H3,(H,30,35)
• InChIKey: NFRDFVUOTHLBKA-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42871047) is 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1cccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)c1.

What is the InChIKey of 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is NFRDFVUOTHLBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-21-10-9-15-24(18-21)36-27-25-20-34(29(35)30-23-13-7-4-8-14-23)17-16-26(25)31-28(32-27)33(2)19-22-11-5-3-6-12-22/h3-15,18H,16-17,19-20H2,1-2H3,(H,30,35).

What are the key properties of 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42871047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).