6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide

C26H26Cl3N3O2 — CID 75228516

IUPAC6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide
SMILESCC(O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34)
InChIKeyDIDXRIJBHXOGGD-UHFFFAOYSA-N
MW518.87 g/mol
LogP6.53
Rot. Bonds4

About 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide

6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide (PubChem CID 75228516) has the molecular formula C26H26Cl3N3O2 and a molecular weight of 518.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide
PubChem CID75228516
Molecular FormulaC26H26Cl3N3O2
Molecular Weight518.87 g/mol
Exact Mass517.11
IUPAC Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide
SMILESCC(O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34)
InChIKeyDIDXRIJBHXOGGD-UHFFFAOYSA-N
XLogP6.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.87
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide (CID 75228516) is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide is CC(O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
The InChIKey is DIDXRIJBHXOGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34).
What are the key properties of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide has a molecular weight of 518.87 g/mol, XLogP of 6.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 75228516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).