3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide

C25H24N4O2 — CID 59212540

IUPAC3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide
SMILESCCc1cccc(NC(=O)c2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)n1
InChIInChI=1S/C25H24N4O2/c1-5-19-7-6-8-23(27-19)28-24(30)17-10-9-15(2)20(12-17)21-13-18-14-26-16(3)11-22(18)29(4)25(21)31/h6-14H,5H2,1-4H3,(H,27,28,30)
InChIKeyVVMZTNXSMSQEBX-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.43
Rot. Bonds4

About 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide

3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide (PubChem CID 59212540) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide
PubChem CID59212540
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide
SMILESCCc1cccc(NC(=O)c2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)n1
InChIInChI=1S/C25H24N4O2/c1-5-19-7-6-8-23(27-19)28-24(30)17-10-9-15(2)20(12-17)21-13-18-14-26-16(3)11-22(18)29(4)25(21)31/h6-14H,5H2,1-4H3,(H,27,28,30)
InChIKeyVVMZTNXSMSQEBX-UHFFFAOYSA-N
XLogP4.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzamide
CID 59212305
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]pyridine-2-carboxamide
CID 59212447
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 59212373
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]-1,3-oxazole-4-carboxamide
CID 24951699
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 59212300
ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 143662267
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-propyl-4,5-dihydroimidazole-2-carboxamide
CID 70910893
1,7-dimethyl-3-[2-methyl-5-[[(Z)-1-methylsulfanyl-3-oxo-3-phenylprop-1-enyl]amino]phenyl]-1,6-naphthyridin-2-one
CID 58369030

Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide?
The IUPAC name of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide (CID 59212540) is 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide?
The canonical SMILES for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide is CCc1cccc(NC(=O)c2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)n1.
What is the InChIKey of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide?
The InChIKey is VVMZTNXSMSQEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-5-19-7-6-8-23(27-19)28-24(30)17-10-9-15(2)20(12-17)21-13-18-14-26-16(3)11-22(18)29(4)25(21)31/h6-14H,5H2,1-4H3,(H,27,28,30).
What are the key properties of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide?
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-N-(6-ethyl-2-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 59212540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).