3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide

C17H16N4O2 — CID 123849295

IUPAC3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide
SMILESCc1cc2ccn(C)c(=O)c2c(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C17H16N4O2/c1-10-8-11-6-7-21(2)17(23)14(11)16(19-10)20-13-5-3-4-12(9-13)15(18)22/h3-9H,1-2H3,(H2,18,22)(H,19,20)
InChIKeyYZSNWAOQTTYGGS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.08
Rot. Bonds3

About 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide

3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide (PubChem CID 123849295) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide.

Molecular Properties

Compound Name3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide
PubChem CID123849295
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide
SMILESCc1cc2ccn(C)c(=O)c2c(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C17H16N4O2/c1-10-8-11-6-7-21(2)17(23)14(11)16(19-10)20-13-5-3-4-12(9-13)15(18)22/h3-9H,1-2H3,(H2,18,22)(H,19,20)
InChIKeyYZSNWAOQTTYGGS-UHFFFAOYSA-N
XLogP2.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]-2-methylbenzenesulfonamide
CID 123424084
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3-[(2-methylquinolin-4-yl)amino]benzamide
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2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide
CID 66925499
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3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
CID 114047764
3-(methylamino)benzamide
CID 18727714
3-hydrazinylbenzamide;hydrochloride
CID 90487444
ethane;3-(methylamino)benzamide
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3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
CID 171387328

Frequently Asked Questions

What is the IUPAC name of 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide?
The IUPAC name of 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide (CID 123849295) is 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide.
What is the SMILES notation for 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide?
The canonical SMILES for 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide is Cc1cc2ccn(C)c(=O)c2c(Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide?
The InChIKey is YZSNWAOQTTYGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-8-11-6-7-21(2)17(23)14(11)16(19-10)20-13-5-3-4-12(9-13)15(18)22/h3-9H,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide?
3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide is sourced from PubChem (CID 123849295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).