N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide

C21H18N4O3 — CID 164572203

IUPACN-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(Cn2ccc3cc(-c4conc4C)cnc3c2=O)c1
InChIInChI=1S/C21H18N4O3/c1-13-18(12-28-24-13)17-9-15-6-7-25(21(27)19(15)23-10-17)11-14-4-3-5-16(8-14)20(26)22-2/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyUXPVIDNNSOPWFN-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide

N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide (PubChem CID 164572203) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide
PubChem CID164572203
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(Cn2ccc3cc(-c4conc4C)cnc3c2=O)c1
InChIInChI=1S/C21H18N4O3/c1-13-18(12-28-24-13)17-9-15-6-7-25(21(27)19(15)23-10-17)11-14-4-3-5-16(8-14)20(26)22-2/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyUXPVIDNNSOPWFN-UHFFFAOYSA-N
XLogP2.77
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
CID 164572074
3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide
CID 164572545
3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide
CID 164572101
3-fluoro-5-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 164572499
3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63579248
N-(2-fluoro-4-pyridinyl)-3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]benzamide
CID 167403795
N-methyl-3-[[[5-methyl-2-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]benzamide
CID 133349118
3-[(6-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]benzoic acid
CID 167403847
N-methyl-3-[2-[[N'-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111632267
N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 75391007
3-ethyl-N-methylbenzamide
CID 59115297
3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 164572597

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide?
The IUPAC name of N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide (CID 164572203) is N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide is CNC(=O)c1cccc(Cn2ccc3cc(-c4conc4C)cnc3c2=O)c1.
What is the InChIKey of N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide?
The InChIKey is UXPVIDNNSOPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-18(12-28-24-13)17-9-15-6-7-25(21(27)19(15)23-10-17)11-14-4-3-5-16(8-14)20(26)22-2/h3-10,12H,11H2,1-2H3,(H,22,26).
What are the key properties of N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide?
N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide is sourced from PubChem (CID 164572203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).