N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide

C25H26N4O4 — CID 66737449

IUPACN-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
SMILESCCc1ccc(N2CC(CN(C)C(=O)C=Cc3ccnc4ccc(OC)nc34)OC2=O)cc1
InChIInChI=1S/C25H26N4O4/c1-4-17-5-8-19(9-6-17)29-16-20(33-25(29)31)15-28(2)23(30)12-7-18-13-14-26-21-10-11-22(32-3)27-24(18)21/h5-14,20H,4,15-16H2,1-3H3
InChIKeyPXJNTWREQMXNKP-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.70
Rot. Bonds7

About N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide

N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide (PubChem CID 66737449) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
PubChem CID66737449
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
SMILESCCc1ccc(N2CC(CN(C)C(=O)C=Cc3ccnc4ccc(OC)nc34)OC2=O)cc1
InChIInChI=1S/C25H26N4O4/c1-4-17-5-8-19(9-6-17)29-16-20(33-25(29)31)15-28(2)23(30)12-7-18-13-14-26-21-10-11-22(32-3)27-24(18)21/h5-14,20H,4,15-16H2,1-3H3
InChIKeyPXJNTWREQMXNKP-UHFFFAOYSA-N
XLogP3.70
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[(5R)-2-oxo-3-(4-propylphenyl)-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66737457
N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
CID 66737439
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[(5R)-3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66737705
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66737704
2-[[(5R)-3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
CID 68797075
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide
CID 91422533
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66736403
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
CID 66736965
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
CID 66737488
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one
CID 25116714
(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
CID 66953797
5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 66954645

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?
The IUPAC name of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide (CID 66737449) is N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide is CCc1ccc(N2CC(CN(C)C(=O)C=Cc3ccnc4ccc(OC)nc34)OC2=O)cc1.
What is the InChIKey of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?
The InChIKey is PXJNTWREQMXNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-4-17-5-8-19(9-6-17)29-16-20(33-25(29)31)15-28(2)23(30)12-7-18-13-14-26-21-10-11-22(32-3)27-24(18)21/h5-14,20H,4,15-16H2,1-3H3.
What are the key properties of N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide?
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide has a molecular weight of 446.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 66737449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).