N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide

C26H27FN4O3 — CID 71681176

IUPACN-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
SMILESCC1(C)OC(=O)N(C2CCC(NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C26H27FN4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32)/t18?,19?,23-/m0/s1
InChIKeyNKPDQKILCAOJCZ-XWEVFREBSA-N
MW462.53 g/mol
LogP4.78
Rot. Bonds4

About N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide

N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide (PubChem CID 71681176) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
PubChem CID71681176
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
SMILESCC1(C)OC(=O)N(C2CCC(NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C26H27FN4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32)/t18?,19?,23-/m0/s1
InChIKeyNKPDQKILCAOJCZ-XWEVFREBSA-N
XLogP4.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The IUPAC name of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide (CID 71681176) is N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide is CC1(C)OC(=O)N(C2CCC(NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1.
What is the InChIKey of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The InChIKey is NKPDQKILCAOJCZ-XWEVFREBSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32)/t18?,19?,23-/m0/s1.
What are the key properties of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-7-fluoro-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 71681176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).