4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide

C23H21N5O2 — CID 58094069

IUPAC4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3ccc(C)nc3C)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C23H21N5O2/c1-13-4-9-18(14(2)26-13)19-12-16-10-11-25-23(30)20(16)21(28-19)27-17-7-5-15(6-8-17)22(29)24-3/h4-12H,1-3H3,(H,24,29)(H,25,30)(H,27,28)
InChIKeyOARVPLGJSBNGHI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.71
Rot. Bonds4

About 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide

4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide (PubChem CID 58094069) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
PubChem CID58094069
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3ccc(C)nc3C)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C23H21N5O2/c1-13-4-9-18(14(2)26-13)19-12-16-10-11-25-23(30)20(16)21(28-19)27-17-7-5-15(6-8-17)22(29)24-3/h4-12H,1-3H3,(H,24,29)(H,25,30)(H,27,28)
InChIKeyOARVPLGJSBNGHI-UHFFFAOYSA-N
XLogP3.71
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide (CID 58094069) is 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc(-c3ccc(C)nc3C)cc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
The InChIKey is OARVPLGJSBNGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-13-4-9-18(14(2)26-13)19-12-16-10-11-25-23(30)20(16)21(28-19)27-17-7-5-15(6-8-17)22(29)24-3/h4-12H,1-3H3,(H,24,29)(H,25,30)(H,27,28).
What are the key properties of 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 58094069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).