N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide

C21H14Cl2N4O2 — CID 58496493

IUPACN-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C21H14Cl2N4O2/c22-16-7-5-14(11-17(16)23)26-21(29)12-1-3-13(4-2-12)25-18-9-10-24-20-15(18)6-8-19(28)27-20/h1-11H,(H,26,29)(H2,24,25,27,28)
InChIKeyAGAMTQJGJQZDNL-UHFFFAOYSA-N
MW425.28 g/mol
LogP5.23
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide

N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide (PubChem CID 58496493) has the molecular formula C21H14Cl2N4O2 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide
PubChem CID58496493
Molecular FormulaC21H14Cl2N4O2
Molecular Weight425.28 g/mol
Exact Mass424.05
IUPAC NameN-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C21H14Cl2N4O2/c22-16-7-5-14(11-17(16)23)26-21(29)12-1-3-13(4-2-12)25-18-9-10-24-20-15(18)6-8-19(28)27-20/h1-11H,(H,26,29)(H2,24,25,27,28)
InChIKeyAGAMTQJGJQZDNL-UHFFFAOYSA-N
XLogP5.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.28
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide (CID 58496493) is N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Nc2ccnc3[nH]c(=O)ccc23)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide?
The InChIKey is AGAMTQJGJQZDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2/c22-16-7-5-14(11-17(16)23)26-21(29)12-1-3-13(4-2-12)25-18-9-10-24-20-15(18)6-8-19(28)27-20/h1-11H,(H,26,29)(H2,24,25,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide?
N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide has a molecular weight of 425.28 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(7-oxo-8H-1,8-naphthyridin-4-yl)amino]benzamide is sourced from PubChem (CID 58496493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).