N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide

C23H18Cl2N4O2 — CID 143032077

IUPACN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)cc1
InChIInChI=1S/C23H18Cl2N4O2/c1-26-15-5-3-13(4-6-15)22(30)28-18-8-7-17(24)20(21(18)25)16-11-14-12-27-10-9-19(14)29(2)23(16)31/h3-12,26H,1-2H3,(H,28,30)
InChIKeyZZYDGOPCFHEQBY-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.20
Rot. Bonds4

About N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide (PubChem CID 143032077) has the molecular formula C23H18Cl2N4O2 and a molecular weight of 453.33 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide
PubChem CID143032077
Molecular FormulaC23H18Cl2N4O2
Molecular Weight453.33 g/mol
Exact Mass452.08
IUPAC NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)cc1
InChIInChI=1S/C23H18Cl2N4O2/c1-26-15-5-3-13(4-6-15)22(30)28-18-8-7-17(24)20(21(18)25)16-11-14-12-27-10-9-19(14)29(2)23(16)31/h3-12,26H,1-2H3,(H,28,30)
InChIKeyZZYDGOPCFHEQBY-UHFFFAOYSA-N
XLogP5.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 59833886
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide
CID 59833938
3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 59833874
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide
CID 59833815
N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 59833883
N-[2,4-dichloro-3-[8-methyl-2-(3-methylsulfanylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 59833850
N-[4-(aminomethyl)-3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 174591274
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92677651

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide?
The IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide (CID 143032077) is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide.
What is the SMILES notation for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide?
The canonical SMILES for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)cc1.
What is the InChIKey of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide?
The InChIKey is ZZYDGOPCFHEQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2/c1-26-15-5-3-13(4-6-15)22(30)28-18-8-7-17(24)20(21(18)25)16-11-14-12-27-10-9-19(14)29(2)23(16)31/h3-12,26H,1-2H3,(H,28,30).
What are the key properties of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide?
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide has a molecular weight of 453.33 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide is sourced from PubChem (CID 143032077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).