N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide

C34H40N4O5 — CID 164620991

About N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide

N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide (PubChem CID 164620991) has the molecular formula C34H40N4O5 and a molecular weight of 584.72 g/mol. Its IUPAC name is N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide
• PubChem CID: 164620991
• Molecular Formula: C34H40N4O5
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.30
• IUPAC Name: N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide
• SMILES: CCN(C(=O)C1CC1)c1cc(-c2ccc(NC(=O)C3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
• InChI: InChI=1S/C34H40N4O5/c1-5-38(34(42)25-6-7-25)30-18-26(23-8-10-27(11-9-23)37-31(39)24-12-14-43-15-13-24)17-28(22(30)4)32(40)35-19-29-20(2)16-21(3)36-33(29)41/h8-11,16-18,24-25H,5-7,12-15,19H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)
• InChIKey: FMHYLWKBQLTJKF-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 120.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide?

The IUPAC name of N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide (CID 164620991) is N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide.

What is the SMILES notation for N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide?

The canonical SMILES for N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide is CCN(C(=O)C1CC1)c1cc(-c2ccc(NC(=O)C3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.

What is the InChIKey of N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide?

The InChIKey is FMHYLWKBQLTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O5/c1-5-38(34(42)25-6-7-25)30-18-26(23-8-10-27(11-9-23)37-31(39)24-12-14-43-15-13-24)17-28(22(30)4)32(40)35-19-29-20(2)16-21(3)36-33(29)41/h8-11,16-18,24-25H,5-7,12-15,19H2,1-4H3,(H,35,40)(H,36,41)(H,37,39).

What are the key properties of N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide?

N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide has a molecular weight of 584.72 g/mol, XLogP of 5.03, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[cyclopropanecarbonyl(ethyl)amino]-5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylphenyl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 164620991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).