N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C36H41N5O4 — CID 167644071

About N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 167644071) has the molecular formula C36H41N5O4 and a molecular weight of 607.76 g/mol. Its IUPAC name is N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
• PubChem CID: 167644071
• Molecular Formula: C36H41N5O4
• Molecular Weight: 607.76 g/mol
• Exact Mass: 607.32
• IUPAC Name: N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4ccc(CCCCO)cn4)c3C)c2C)nc2c1CCN(CCO)C2
• InChI: InChI=1S/C36H41N5O4/c1-23-20-33(38-34-22-41(17-19-43)16-15-27(23)34)36(45)40-31-12-7-10-29(25(31)3)28-9-6-11-30(24(28)2)39-35(44)32-14-13-26(21-37-32)8-4-5-18-42/h6-7,9-14,20-21,42-43H,4-5,8,15-19,22H2,1-3H3,(H,39,44)(H,40,45)
• InChIKey: ITHWSMCIYIESTQ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 127.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.76
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The IUPAC name of N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 167644071) is N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3cccc(NC(=O)c4ccc(CCCCO)cn4)c3C)c2C)nc2c1CCN(CCO)C2.

What is the InChIKey of N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The InChIKey is ITHWSMCIYIESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O4/c1-23-20-33(38-34-22-41(17-19-43)16-15-27(23)34)36(45)40-31-12-7-10-29(25(31)3)28-9-6-11-30(24(28)2)39-35(44)32-14-13-26(21-37-32)8-4-5-18-42/h6-7,9-14,20-21,42-43H,4-5,8,15-19,22H2,1-3H3,(H,39,44)(H,40,45).

What are the key properties of N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 607.76 g/mol, XLogP of 5.24, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 167644071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).