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

C47H31Cl2F4N9O3 — CID 159191757

IUPAC5-(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
SMILESCc1nc2cncc(-c3ccc(Cl)cc3)c2cc1C(N)=O.NC(=O)c1cnc2cncc(-c3ccc(C(F)(F)F)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C16H12ClN3O.C16H10F3N3O.C15H9ClFN3O/c1-9-12(16(18)21)6-13-14(7-19-8-15(13)20-9)10-2-4-11(17)5-3-10;17-16(18,19)11-3-1-9(2-4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;16-9-1-2-10(13(17)4-9)12-6-19-7-14-11(12)3-8(5-20-14)15(18)21/h2-8H,1H3,(H2,18,21);1-8H,(H2,20,23);1-7H,(H2,18,21)
InChIKeyKOEDUOJFTQPVFV-UHFFFAOYSA-N
MW916.72 g/mol
LogP9.96
Rot. Bonds6

About 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

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 (PubChem CID 159191757) has the molecular formula C47H31Cl2F4N9O3 and a molecular weight of 916.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID159191757
Molecular FormulaC47H31Cl2F4N9O3
Molecular Weight916.72 g/mol
Exact Mass915.19
IUPAC Name5-(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
SMILESCc1nc2cncc(-c3ccc(Cl)cc3)c2cc1C(N)=O.NC(=O)c1cnc2cncc(-c3ccc(C(F)(F)F)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C16H12ClN3O.C16H10F3N3O.C15H9ClFN3O/c1-9-12(16(18)21)6-13-14(7-19-8-15(13)20-9)10-2-4-11(17)5-3-10;17-16(18,19)11-3-1-9(2-4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;16-9-1-2-10(13(17)4-9)12-6-19-7-14-11(12)3-8(5-20-14)15(18)21/h2-8H,1H3,(H2,18,21);1-8H,(H2,20,23);1-7H,(H2,18,21)
InChIKeyKOEDUOJFTQPVFV-UHFFFAOYSA-N
XLogP9.96
TPSA206.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.72
LogP ≤ 59.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2cncc(-c3ccc(Cl)cc3)c2cc1C(N)=O.NC(=O)c1cnc2cncc(-c3ccc(C(F)(F)F)cc3)c2c1.NC(=O)c1cnc2cncc(-c3ccc(Cl)cc3F)c2c1.
What is the InChIKey of 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?
The InChIKey is KOEDUOJFTQPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O.C16H10F3N3O.C15H9ClFN3O/c1-9-12(16(18)21)6-13-14(7-19-8-15(13)20-9)10-2-4-11(17)5-3-10;17-16(18,19)11-3-1-9(2-4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;16-9-1-2-10(13(17)4-9)12-6-19-7-14-11(12)3-8(5-20-14)15(18)21/h2-8H,1H3,(H2,18,21);1-8H,(H2,20,23);1-7H,(H2,18,21).
What are the key properties of 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?
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 has a molecular weight of 916.72 g/mol, XLogP of 9.96, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159191757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).