N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C29H24ClF3N6O4 — CID 78140514

About N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide

N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 78140514) has the molecular formula C29H24ClF3N6O4 and a molecular weight of 613.00 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 78140514
• Molecular Formula: C29H24ClF3N6O4
• Molecular Weight: 613.00 g/mol
• Exact Mass: 612.15
• IUPAC Name: N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: N#Cc1ccnc(N2C(=O)OCC2C(=O)N(c2cncc(F)c2)C(C(=O)NC2CCC(F)(F)CC2)c2ccccc2Cl)c1
• InChI: InChI=1S/C29H24ClF3N6O4/c30-22-4-2-1-3-21(22)25(26(40)37-19-5-8-29(32,33)9-6-19)38(20-12-18(31)14-35-15-20)27(41)23-16-43-28(42)39(23)24-11-17(13-34)7-10-36-24/h1-4,7,10-12,14-15,19,23,25H,5-6,8-9,16H2,(H,37,40)
• InChIKey: YQGRTCGDQCWOMA-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.00
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 78140514) is N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide is N#Cc1ccnc(N2C(=O)OCC2C(=O)N(c2cncc(F)c2)C(C(=O)NC2CCC(F)(F)CC2)c2ccccc2Cl)c1.

What is the InChIKey of N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is YQGRTCGDQCWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF3N6O4/c30-22-4-2-1-3-21(22)25(26(40)37-19-5-8-29(32,33)9-6-19)38(20-12-18(31)14-35-15-20)27(41)23-16-43-28(42)39(23)24-11-17(13-34)7-10-36-24/h1-4,7,10-12,14-15,19,23,25H,5-6,8-9,16H2,(H,37,40).

What are the key properties of N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 613.00 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 78140514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).