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

C22H22F3N5O5 — CID 145335568

IUPAC(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4c3N(C)CC=C4)[C@H]2CO)n1
InChIInChI=1S/C22H22F3N5O5/c1-29-5-3-4-12-8-26-9-13(18(12)29)10-27-20(32)30-16(11-31)19(35-21(30)33)15-6-14(22(23,24)25)7-17(28-15)34-2/h3-4,6-9,16,19,31H,5,10-11H2,1-2H3,(H,27,32)/t16-,19+/m0/s1
InChIKeyUSIUXZHPRHRUPU-QFBILLFUSA-N
MW493.44 g/mol
LogP2.73
Rot. Bonds5

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

(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 145335568) has the molecular formula C22H22F3N5O5 and a molecular weight of 493.44 g/mol. Its IUPAC name is (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID145335568
Molecular FormulaC22H22F3N5O5
Molecular Weight493.44 g/mol
Exact Mass493.16
IUPAC Name(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4c3N(C)CC=C4)[C@H]2CO)n1
InChIInChI=1S/C22H22F3N5O5/c1-29-5-3-4-12-8-26-9-13(18(12)29)10-27-20(32)30-16(11-31)19(35-21(30)33)15-6-14(22(23,24)25)7-17(28-15)34-2/h3-4,6-9,16,19,31H,5,10-11H2,1-2H3,(H,27,32)/t16-,19+/m0/s1
InChIKeyUSIUXZHPRHRUPU-QFBILLFUSA-N
XLogP2.73
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 145335568) is (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is COc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4c3N(C)CC=C4)[C@H]2CO)n1.
What is the InChIKey of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is USIUXZHPRHRUPU-QFBILLFUSA-N. The full InChI is InChI=1S/C22H22F3N5O5/c1-29-5-3-4-12-8-26-9-13(18(12)29)10-27-20(32)30-16(11-31)19(35-21(30)33)15-6-14(22(23,24)25)7-17(28-15)34-2/h3-4,6-9,16,19,31H,5,10-11H2,1-2H3,(H,27,32)/t16-,19+/m0/s1.
What are the key properties of (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 493.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(hydroxymethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-N-[(1-methyl-2H-1,6-naphthyridin-8-yl)methyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 145335568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).