N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C28H27N5O — CID 54586444

About N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 54586444) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 54586444
• Molecular Formula: C28H27N5O
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.22
• IUPAC Name: N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: CCc1cccc(NC(=O)N2CCc3nc(-c4ccccn4)nc(-c4ccccc4C)c3C2)c1
• InChI: InChI=1S/C28H27N5O/c1-3-20-10-8-11-21(17-20)30-28(34)33-16-14-24-23(18-33)26(22-12-5-4-9-19(22)2)32-27(31-24)25-13-6-7-15-29-25/h4-13,15,17H,3,14,16,18H2,1-2H3,(H,30,34)
• InChIKey: GPHPDJSZJCSVCJ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 54586444) is N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4ccccn4)nc(-c4ccccc4C)c3C2)c1.

What is the InChIKey of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is GPHPDJSZJCSVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-3-20-10-8-11-21(17-20)30-28(34)33-16-14-24-23(18-33)26(22-12-5-4-9-19(22)2)32-27(31-24)25-13-6-7-15-29-25/h4-13,15,17H,3,14,16,18H2,1-2H3,(H,30,34).

What are the key properties of N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethylphenyl)-4-(2-methylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 54586444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).