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

C24H22N4O2 — CID 59212346

IUPAC3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cn1
InChIInChI=1S/C24H22N4O2/c1-14-5-7-17(23(29)27-19-8-6-15(2)26-13-19)10-20(14)21-11-18-12-25-16(3)9-22(18)28(4)24(21)30/h5-13H,1-4H3,(H,27,29)
InChIKeyQTTGBMCADMJOGZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.17
Rot. Bonds3

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

3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide (PubChem CID 59212346) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
PubChem CID59212346
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cn1
InChIInChI=1S/C24H22N4O2/c1-14-5-7-17(23(29)27-19-8-6-15(2)26-13-19)10-20(14)21-11-18-12-25-16(3)9-22(18)28(4)24(21)30/h5-13H,1-4H3,(H,27,29)
InChIKeyQTTGBMCADMJOGZ-UHFFFAOYSA-N
XLogP4.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide (CID 59212346) is 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccc(C)c(-c3cc4cnc(C)cc4n(C)c3=O)c2)cn1.
What is the InChIKey of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide?
The InChIKey is QTTGBMCADMJOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-14-5-7-17(23(29)27-19-8-6-15(2)26-13-19)10-20(14)21-11-18-12-25-16(3)9-22(18)28(4)24(21)30/h5-13H,1-4H3,(H,27,29).
What are the key properties of 3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide?
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.17, 3 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)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 59212346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).