(4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide

C21H18F3N5O4 — CID 129249022

IUPAC(4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4cccnc34)[C@H]2C)n1
InChIInChI=1S/C21H18F3N5O4/c1-11-18(15-6-14(21(22,23)24)7-16(28-15)32-2)33-20(31)29(11)19(30)27-10-13-9-25-8-12-4-3-5-26-17(12)13/h3-9,11,18H,10H2,1-2H3,(H,27,30)/t11-,18-/m0/s1
InChIKeyFFFRBPPBENZZLF-VOJFVSQTSA-N
MW461.40 g/mol
LogP3.84
Rot. Bonds4

About (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129249022) has the molecular formula C21H18F3N5O4 and a molecular weight of 461.40 g/mol. Its IUPAC name is (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID129249022
Molecular FormulaC21H18F3N5O4
Molecular Weight461.40 g/mol
Exact Mass461.13
IUPAC Name(4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4cccnc34)[C@H]2C)n1
InChIInChI=1S/C21H18F3N5O4/c1-11-18(15-6-14(21(22,23)24)7-16(28-15)32-2)33-20(31)29(11)19(30)27-10-13-9-25-8-12-4-3-5-26-17(12)13/h3-9,11,18H,10H2,1-2H3,(H,27,30)/t11-,18-/m0/s1
InChIKeyFFFRBPPBENZZLF-VOJFVSQTSA-N
XLogP3.84
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide with MolForge

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Related Compounds

(4S,5S)-4-(hydroxymethyl)-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)pyridin-2-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
CID 129249002
US11141410, Example 64
CID 129273415
US11141410, Example 4
CID 129273420
US11141410, Example 15
CID 129273608
US11141410, Example 53
CID 129273613
(4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)pyridin-3-yl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072049
4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methylpiperidine-1-carboxamide
CID 58379499
1-(2-Methoxyethyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379627
US11141410, Example 61
CID 129273441
US11141410, Example 62
CID 129273443
US11141410, Example 34
CID 129273652
US11141410, Example 63
CID 162478325

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129249022) is (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is COc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4cccnc34)[C@H]2C)n1.
What is the InChIKey of (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is FFFRBPPBENZZLF-VOJFVSQTSA-N. The full InChI is InChI=1S/C21H18F3N5O4/c1-11-18(15-6-14(21(22,23)24)7-16(28-15)32-2)33-20(31)29(11)19(30)27-10-13-9-25-8-12-4-3-5-26-17(12)13/h3-9,11,18H,10H2,1-2H3,(H,27,30)/t11-,18-/m0/s1.
What are the key properties of (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 461.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-4-methyl-N-(1,6-naphthyridin-8-ylmethyl)-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129249022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).