N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide

C35H38N4O4 — CID 58729036

About N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide

N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 58729036) has the molecular formula C35H38N4O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide
• PubChem CID: 58729036
• Molecular Formula: C35H38N4O4
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.29
• IUPAC Name: N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide
• SMILES: Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2cccc(NC(=O)C3CCCO3)c2)c(=O)n(C)c1
• InChI: InChI=1S/C35H38N4O4/c1-22-28(11-7-12-29(22)38-32(40)23-14-16-25(17-15-23)35(2,3)4)24-19-30(34(42)39(5)21-24)36-26-9-6-10-27(20-26)37-33(41)31-13-8-18-43-31/h6-7,9-12,14-17,19-21,31,36H,8,13,18H2,1-5H3,(H,37,41)(H,38,40)
• InChIKey: WWSFUIMNHASBMQ-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 101.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide?

The IUPAC name of N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide (CID 58729036) is N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide.

What is the SMILES notation for N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide?

The canonical SMILES for N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2cccc(NC(=O)C3CCCO3)c2)c(=O)n(C)c1.

What is the InChIKey of N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide?

The InChIKey is WWSFUIMNHASBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O4/c1-22-28(11-7-12-29(22)38-32(40)23-14-16-25(17-15-23)35(2,3)4)24-19-30(34(42)39(5)21-24)36-26-9-6-10-27(20-26)37-33(41)31-13-8-18-43-31/h6-7,9-12,14-17,19-21,31,36H,8,13,18H2,1-5H3,(H,37,41)(H,38,40).

What are the key properties of N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide?

N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 578.71 g/mol, XLogP of 6.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxo-3-pyridinyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 58729036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).