8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide

C35H24Cl2F6N6O2 — CID 158456486

IUPAC8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.O=C(NCCC(F)(F)F)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C18H13ClF3N3O.C17H11ClF3N3O/c19-13-4-1-11(2-5-13)14-10-23-9-12-3-6-15(25-16(12)14)17(26)24-8-7-18(20,21)22;18-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(24-15(11)13)16(25)23-9-17(19,20)21/h1-6,9-10H,7-8H2,(H,24,26);1-8H,9H2,(H,23,25)
InChIKeyHEQAQKQQMUKPGA-UHFFFAOYSA-N
MW745.51 g/mol
LogP8.87
Rot. Bonds7

About 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide

8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 158456486) has the molecular formula C35H24Cl2F6N6O2 and a molecular weight of 745.51 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide
PubChem CID158456486
Molecular FormulaC35H24Cl2F6N6O2
Molecular Weight745.51 g/mol
Exact Mass744.12
IUPAC Name8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.O=C(NCCC(F)(F)F)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C18H13ClF3N3O.C17H11ClF3N3O/c19-13-4-1-11(2-5-13)14-10-23-9-12-3-6-15(25-16(12)14)17(26)24-8-7-18(20,21)22;18-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(24-15(11)13)16(25)23-9-17(19,20)21/h1-6,9-10H,7-8H2,(H,24,26);1-8H,9H2,(H,23,25)
InChIKeyHEQAQKQQMUKPGA-UHFFFAOYSA-N
XLogP8.87
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.51
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AV-608
CID 9917079
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 169423242
6-chloro-N-isoquinolin-4-yl-1-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 169423243
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamino)-1-(2-fluorophenyl)ethyl)piperazin-1-yl)-1-oxopropan-2-yl)isoquinoline-3-carboxamide
CID 10304463
Isoquinoline-1-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399272
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3,5-bis(trifluoromethyl)benzamide
CID 44544144
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 44544145

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide (CID 158456486) is 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide is O=C(NCC(F)(F)F)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.O=C(NCCC(F)(F)F)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is HEQAQKQQMUKPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O.C17H11ClF3N3O/c19-13-4-1-11(2-5-13)14-10-23-9-12-3-6-15(25-16(12)14)17(26)24-8-7-18(20,21)22;18-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(24-15(11)13)16(25)23-9-17(19,20)21/h1-6,9-10H,7-8H2,(H,24,26);1-8H,9H2,(H,23,25).
What are the key properties of 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide?
8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 745.51 g/mol, XLogP of 8.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-(3,3,3-trifluoropropyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 158456486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).