5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one

C29H29Cl3N4O — CID 23532740

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
SMILESCC1(C)CC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC(C)(C)N1
InChIInChI=1S/C29H29Cl3N4O/c1-28(2)15-17(16-29(3,4)35-28)33-24-14-23-19(26(34-24)18-8-5-6-9-20(18)30)12-13-25(37)36(23)27-21(31)10-7-11-22(27)32/h5-14,17,35H,15-16H2,1-4H3,(H,33,34)
InChIKeyJPAXUPOTRXLXQE-UHFFFAOYSA-N
MW555.94 g/mol
LogP7.73
Rot. Bonds4

About 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one (PubChem CID 23532740) has the molecular formula C29H29Cl3N4O and a molecular weight of 555.94 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
PubChem CID23532740
Molecular FormulaC29H29Cl3N4O
Molecular Weight555.94 g/mol
Exact Mass554.14
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one
SMILESCC1(C)CC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC(C)(C)N1
InChIInChI=1S/C29H29Cl3N4O/c1-28(2)15-17(16-29(3,4)35-28)33-24-14-23-19(26(34-24)18-8-5-6-9-20(18)30)12-13-25(37)36(23)27-21(31)10-7-11-22(27)32/h5-14,17,35H,15-16H2,1-4H3,(H,33,34)
InChIKeyJPAXUPOTRXLXQE-UHFFFAOYSA-N
XLogP7.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.94
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one (CID 23532740) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one is CC1(C)CC(Nc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC(C)(C)N1.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one?
The InChIKey is JPAXUPOTRXLXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl3N4O/c1-28(2)15-17(16-29(3,4)35-28)33-24-14-23-19(26(34-24)18-8-5-6-9-20(18)30)12-13-25(37)36(23)27-21(31)10-7-11-22(27)32/h5-14,17,35H,15-16H2,1-4H3,(H,33,34).
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one has a molecular weight of 555.94 g/mol, XLogP of 7.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 23532740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).