N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

C30H37F2N5O4 — CID 10144580

About N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (PubChem CID 10144580) has the molecular formula C30H37F2N5O4 and a molecular weight of 569.65 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
• PubChem CID: 10144580
• Molecular Formula: C30H37F2N5O4
• Molecular Weight: 569.65 g/mol
• Exact Mass: 569.28
• IUPAC Name: N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
• SMILES: CCCN(CCC)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CCC2CCC(=O)N2)cc(-c2ncco2)n1
• InChI: InChI=1S/C30H37F2N5O4/c1-3-10-37(11-4-2)27-17-20(16-25(35-27)30-33-9-12-41-30)29(40)36-24(15-19-13-21(31)18-22(32)14-19)26(38)7-5-23-6-8-28(39)34-23/h9,12-14,16-18,23-24,26,38H,3-8,10-11,15H2,1-2H3,(H,34,39)(H,36,40)
• InChIKey: KSILBYVVZXFQLQ-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 120.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.65
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?

The IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (CID 10144580) is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CCC2CCC(=O)N2)cc(-c2ncco2)n1.

What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?

The InChIKey is KSILBYVVZXFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F2N5O4/c1-3-10-37(11-4-2)27-17-20(16-25(35-27)30-33-9-12-41-30)29(40)36-24(15-19-13-21(31)18-22(32)14-19)26(38)7-5-23-6-8-28(39)34-23/h9,12-14,16-18,23-24,26,38H,3-8,10-11,15H2,1-2H3,(H,34,39)(H,36,40).

What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?

N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide has a molecular weight of 569.65 g/mol, XLogP of 4.40, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(5-oxopyrrolidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 10144580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).