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

C26H31N5O — CID 7351087

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

N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7351087) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 7351087
• Molecular Formula: C26H31N5O
• Molecular Weight: 429.57 g/mol
• Exact Mass: 429.25
• IUPAC Name: N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: CCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1cccc(C)c1C)CC2
• InChI: InChI=1S/C26H31N5O/c1-5-15-30(4)25-21-17-31(26(32)28-22-13-9-10-18(2)19(22)3)16-14-23(21)27-24(29-25)20-11-7-6-8-12-20/h6-13H,5,14-17H2,1-4H3,(H,28,32)
• InChIKey: BLHTWSUJTPKRAL-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7351087) is N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCCN(C)c1nc(-c2ccccc2)nc2c1CN(C(=O)Nc1cccc(C)c1C)CC2.

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

The InChIKey is BLHTWSUJTPKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-5-15-30(4)25-21-17-31(26(32)28-22-13-9-10-18(2)19(22)3)16-14-23(21)27-24(29-25)20-11-7-6-8-12-20/h6-13H,5,14-17H2,1-4H3,(H,28,32).

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

N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7351087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).