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

C32H35N5O2 — CID 42871044

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

2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42871044) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 42871044
• Molecular Formula: C32H35N5O2
• Molecular Weight: 521.67 g/mol
• Exact Mass: 521.28
• IUPAC Name: 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1cccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)c1
• InChI: InChI=1S/C32H35N5O2/c1-22(2)25-13-15-26(16-14-25)33-32(38)37-18-17-29-28(21-37)30(39-27-12-8-9-23(3)19-27)35-31(34-29)36(4)20-24-10-6-5-7-11-24/h5-16,19,22H,17-18,20-21H2,1-4H3,(H,33,38)
• InChIKey: CMTIBDJPUZLZAY-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.67
LogP ≤ 5	6.93
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-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42871044) is 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-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-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1cccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)c1.

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

The InChIKey is CMTIBDJPUZLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-22(2)25-13-15-26(16-14-25)33-32(38)37-18-17-29-28(21-37)30(39-27-12-8-9-23(3)19-27)35-31(34-29)36(4)20-24-10-6-5-7-11-24/h5-16,19,22H,17-18,20-21H2,1-4H3,(H,33,38).

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

2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 6.93, 7 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-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42871044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).