4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide

C26H24Cl2N4O2 — CID 5328722

IUPAC4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1
InChIInChI=1S/C26H24Cl2N4O2/c1-4-32(5-2)25(33)16-9-11-18(12-10-16)30-23-14-22-17(15-29-23)13-19(26(34)31(22)3)24-20(27)7-6-8-21(24)28/h6-15H,4-5H2,1-3H3,(H,29,30)
InChIKeyXQYMFZQDLBHUEP-UHFFFAOYSA-N
MW495.41 g/mol
LogP6.13
Rot. Bonds6

About 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide

4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide (PubChem CID 5328722) has the molecular formula C26H24Cl2N4O2 and a molecular weight of 495.41 g/mol. Its IUPAC name is 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide
PubChem CID5328722
Molecular FormulaC26H24Cl2N4O2
Molecular Weight495.41 g/mol
Exact Mass494.13
IUPAC Name4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1
InChIInChI=1S/C26H24Cl2N4O2/c1-4-32(5-2)25(33)16-9-11-18(12-10-16)30-23-14-22-17(15-29-23)13-19(26(34)31(22)3)24-20(27)7-6-8-21(24)28/h6-15H,4-5H2,1-3H3,(H,29,30)
InChIKeyXQYMFZQDLBHUEP-UHFFFAOYSA-N
XLogP6.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide (CID 5328722) is 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1.
What is the InChIKey of 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide?
The InChIKey is XQYMFZQDLBHUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O2/c1-4-32(5-2)25(33)16-9-11-18(12-10-16)30-23-14-22-17(15-29-23)13-19(26(34)31(22)3)24-20(27)7-6-8-21(24)28/h6-15H,4-5H2,1-3H3,(H,29,30).
What are the key properties of 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide?
4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide has a molecular weight of 495.41 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 5328722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).