5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide

C46H30ClF4N9O4 — CID 159338640

IUPAC5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cncc(-c3ccc(Cl)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccc(OC(F)(F)F)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccccc3F)c2c1
InChIInChI=1S/C16H10F3N3O2.C15H10ClN3O.C15H10FN3O/c17-16(18,19)24-11-3-1-9(2-4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;16-11-3-1-9(2-4-11)13-7-18-8-14-12(13)5-10(6-19-14)15(17)20;16-13-4-2-1-3-10(13)12-7-18-8-14-11(12)5-9(6-19-14)15(17)20/h1-8H,(H2,20,23);2*1-8H,(H2,17,20)
InChIKeyLFWAFNHIZJQQEA-UHFFFAOYSA-N
MW884.25 g/mol
LogP8.88
Rot. Bonds7

About 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide

5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide (PubChem CID 159338640) has the molecular formula C46H30ClF4N9O4 and a molecular weight of 884.25 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
PubChem CID159338640
Molecular FormulaC46H30ClF4N9O4
Molecular Weight884.25 g/mol
Exact Mass883.20
IUPAC Name5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
SMILESNC(=O)c1cnc2cncc(-c3ccc(Cl)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccc(OC(F)(F)F)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccccc3F)c2c1
InChIInChI=1S/C16H10F3N3O2.C15H10ClN3O.C15H10FN3O/c17-16(18,19)24-11-3-1-9(2-4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;16-11-3-1-9(2-4-11)13-7-18-8-14-12(13)5-10(6-19-14)15(17)20;16-13-4-2-1-3-10(13)12-7-18-8-14-11(12)5-9(6-19-14)15(17)20/h1-8H,(H2,20,23);2*1-8H,(H2,17,20)
InChIKeyLFWAFNHIZJQQEA-UHFFFAOYSA-N
XLogP8.88
TPSA215.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.25
LogP ≤ 58.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-methoxybenzyl)-6-chloro-4-(3-(trifluoromethyl)phenylamino)-1,5-naphthyridine-3-carboxamide
CID 90077617
5-(4-(Trifluoromethoxy)phenyl)-1,7-naphthyridine-3-carboxamide
CID 117847315
6-chloro-N-[(4-methoxyphenyl)methyl]-4-(3-methylanilino)-1,5-naphthyridine-3-carboxamide;9-chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 159131877
5-(4-Chloro-2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-2-methyl-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethyl)phenyl]-1,7-naphthyridine-3-carboxamide
CID 159191757
5-chloro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,6-naphthyridine;7-[3-fluoro-4-(trifluoromethoxy)phenyl]-6H-1,6-naphthyridin-5-one;phosphoryl trichloride
CID 159615199
5-(3-Methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
CID 159799034
9-Chloro-3-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-chloro-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 160412024
8-(4-Chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 160605468
9-Chloro-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;(6-methoxy-3-pyridinyl)boronic acid;9-(6-methoxy-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 160860132
5-(3-Methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
CID 160986568
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide;6-chloro-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-chloro-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 161501014
2-[2-[6-(4-chlorophenoxy)-2-pyridinyl]-3-pyridinyl]-N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-fluoroquinoline-3-carboxamide
CID 176353454

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide (CID 159338640) is 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide is NC(=O)c1cnc2cncc(-c3ccc(Cl)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccc(OC(F)(F)F)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccccc3F)c2c1.
What is the InChIKey of 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The InChIKey is LFWAFNHIZJQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2.C15H10ClN3O.C15H10FN3O/c17-16(18,19)24-11-3-1-9(2-4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;16-11-3-1-9(2-4-11)13-7-18-8-14-12(13)5-10(6-19-14)15(17)20;16-13-4-2-1-3-10(13)12-7-18-8-14-11(12)5-9(6-19-14)15(17)20/h1-8H,(H2,20,23);2*1-8H,(H2,17,20).
What are the key properties of 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide has a molecular weight of 884.25 g/mol, XLogP of 8.88, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 159338640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).