3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide

C23H21N5O4 — CID 59212305

IUPAC3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide
SMILESCc1cc2c(cn1)cc(-c1cc(C(=O)NC(=O)Nc3cc(C)on3)ccc1C)c(=O)n2C
InChIInChI=1S/C23H21N5O4/c1-12-5-6-15(21(29)26-23(31)25-20-8-14(3)32-27-20)9-17(12)18-10-16-11-24-13(2)7-19(16)28(4)22(18)30/h5-11H,1-4H3,(H2,25,26,27,29,31)
InChIKeyIXXOILOYQNORKN-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.48
Rot. Bonds3

About 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide

3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide (PubChem CID 59212305) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide
PubChem CID59212305
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide
SMILESCc1cc2c(cn1)cc(-c1cc(C(=O)NC(=O)Nc3cc(C)on3)ccc1C)c(=O)n2C
InChIInChI=1S/C23H21N5O4/c1-12-5-6-15(21(29)26-23(31)25-20-8-14(3)32-27-20)9-17(12)18-10-16-11-24-13(2)7-19(16)28(4)22(18)30/h5-11H,1-4H3,(H2,25,26,27,29,31)
InChIKeyIXXOILOYQNORKN-UHFFFAOYSA-N
XLogP3.48
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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]-3,4-dimethylbenzamide
CID 59212337
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide
CID 59212540
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
CID 24951699
N-(1,3-benzothiazol-6-yl)-3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylbenzamide
CID 59212370
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]-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]carbamothioyl]-2-methylpropanamide
CID 58369052
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]-4H-imidazole-2-carboxamide
CID 163459698
(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide
CID 143662424

Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide?
The IUPAC name of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide (CID 59212305) is 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide.
What is the SMILES notation for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide?
The canonical SMILES for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide is Cc1cc2c(cn1)cc(-c1cc(C(=O)NC(=O)Nc3cc(C)on3)ccc1C)c(=O)n2C.
What is the InChIKey of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide?
The InChIKey is IXXOILOYQNORKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-12-5-6-15(21(29)26-23(31)25-20-8-14(3)32-27-20)9-17(12)18-10-16-11-24-13(2)7-19(16)28(4)22(18)30/h5-11H,1-4H3,(H2,25,26,27,29,31).
What are the key properties of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide?
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide is sourced from PubChem (CID 59212305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).