N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide

C21H18N4O3 — CID 24951699

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cocn3)ccc1C)c(=O)n2C
InChIInChI=1S/C21H18N4O3/c1-12-4-5-15(24-20(26)18-10-28-11-23-18)8-16(12)17-7-14-9-22-13(2)6-19(14)25(3)21(17)27/h4-11H,1-3H3,(H,24,26)
InChIKeyXOIFYHGRQXOLCA-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.46
Rot. Bonds3

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide (PubChem CID 24951699) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
PubChem CID24951699
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cocn3)ccc1C)c(=O)n2C
InChIInChI=1S/C21H18N4O3/c1-12-4-5-15(24-20(26)18-10-28-11-23-18)8-16(12)17-7-14-9-22-13(2)6-19(14)25(3)21(17)27/h4-11H,1-3H3,(H,24,26)
InChIKeyXOIFYHGRQXOLCA-UHFFFAOYSA-N
XLogP3.46
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]pyridine-2-carboxamide
CID 59212447
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 59212401
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
CID 24954166
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 59212300
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 59212373
5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
CID 59212377
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
CID 59212346
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
CID 163459698
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide
CID 70910893
4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 24953829
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide
CID 59212546

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide (CID 24951699) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cocn3)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XOIFYHGRQXOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-12-4-5-15(24-20(26)18-10-28-11-23-18)8-16(12)17-7-14-9-22-13(2)6-19(14)25(3)21(17)27/h4-11H,1-3H3,(H,24,26).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24951699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).