N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C52H42ClF4N9O3 — CID 158202626

IUPACN-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(F)cc1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H14F3N3O.C17H14ClN3O.C17H14FN3O/c1-11-15(9-13-5-3-7-22-16(13)24-11)17(25)23-10-12-4-2-6-14(8-12)18(19,20)21;1-11-15(9-13-5-3-7-19-16(13)21-11)17(22)20-10-12-4-2-6-14(18)8-12;1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12/h2-9H,10H2,1H3,(H,23,25);2*2-9H,10H2,1H3,(H,20,22)
InChIKeyGBCUNMQCAQYFGY-UHFFFAOYSA-N
MW952.41 g/mol
LogP10.42
Rot. Bonds9

About N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 158202626) has the molecular formula C52H42ClF4N9O3 and a molecular weight of 952.41 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID158202626
Molecular FormulaC52H42ClF4N9O3
Molecular Weight952.41 g/mol
Exact Mass951.30
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(F)cc1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C18H14F3N3O.C17H14ClN3O.C17H14FN3O/c1-11-15(9-13-5-3-7-22-16(13)24-11)17(25)23-10-12-4-2-6-14(8-12)18(19,20)21;1-11-15(9-13-5-3-7-19-16(13)21-11)17(22)20-10-12-4-2-6-14(18)8-12;1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12/h2-9H,10H2,1H3,(H,23,25);2*2-9H,10H2,1H3,(H,20,22)
InChIKeyGBCUNMQCAQYFGY-UHFFFAOYSA-N
XLogP10.42
TPSA164.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.41
LogP ≤ 510.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 158202626) is N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(F)cc1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is GBCUNMQCAQYFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O.C17H14ClN3O.C17H14FN3O/c1-11-15(9-13-5-3-7-22-16(13)24-11)17(25)23-10-12-4-2-6-14(8-12)18(19,20)21;1-11-15(9-13-5-3-7-19-16(13)21-11)17(22)20-10-12-4-2-6-14(18)8-12;1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12/h2-9H,10H2,1H3,(H,23,25);2*2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 952.41 g/mol, XLogP of 10.42, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158202626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).