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

C26H25N5OS — CID 59407142

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

N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 59407142) has the molecular formula C26H25N5OS and a molecular weight of 455.59 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 59407142
• Molecular Formula: C26H25N5OS
• Molecular Weight: 455.59 g/mol
• Exact Mass: 455.18
• IUPAC Name: N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4cscc4C)c3C2)c1
• InChI: InChI=1S/C26H25N5OS/c1-3-18-6-4-8-20(12-18)28-26(32)31-11-9-23-21(14-31)24(22-16-33-15-17(22)2)30-25(29-23)19-7-5-10-27-13-19/h4-8,10,12-13,15-16H,3,9,11,14H2,1-2H3,(H,28,32)
• InChIKey: MGPITNVUNHSBBZ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.59
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 59407142) is N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)N2CCc3nc(-c4cccnc4)nc(-c4cscc4C)c3C2)c1.

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

The InChIKey is MGPITNVUNHSBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS/c1-3-18-6-4-8-20(12-18)28-26(32)31-11-9-23-21(14-31)24(22-16-33-15-17(22)2)30-25(29-23)19-7-5-10-27-13-19/h4-8,10,12-13,15-16H,3,9,11,14H2,1-2H3,(H,28,32).

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

N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 455.59 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethylphenyl)-4-(4-methylthiophen-3-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59407142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).