4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide

C37H30F6N6O4 — CID 158843553

IUPAC4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)nc2ncccc12.Cc1[nH]c2ncccc2c(=O)c1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2.C18H14F3N3O2/c1-11-15(16(27-2)14-7-4-8-23-17(14)25-11)18(26)24-10-12-5-3-6-13(9-12)19(20,21)22;1-10-14(15(25)13-6-3-7-22-16(13)24-10)17(26)23-9-11-4-2-5-12(8-11)18(19,20)21/h3-9H,10H2,1-2H3,(H,24,26);2-8H,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyIYNVSBVHGMMBGH-UHFFFAOYSA-N
MW736.67 g/mol
LogP7.08
Rot. Bonds7

About 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide

4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 158843553) has the molecular formula C37H30F6N6O4 and a molecular weight of 736.67 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide
PubChem CID158843553
Molecular FormulaC37H30F6N6O4
Molecular Weight736.67 g/mol
Exact Mass736.22
IUPAC Name4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)nc2ncccc12.Cc1[nH]c2ncccc2c(=O)c1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2.C18H14F3N3O2/c1-11-15(16(27-2)14-7-4-8-23-17(14)25-11)18(26)24-10-12-5-3-6-13(9-12)19(20,21)22;1-10-14(15(25)13-6-3-7-22-16(13)24-10)17(26)23-9-11-4-2-5-12(8-11)18(19,20)21/h3-9H,10H2,1-2H3,(H,24,26);2-8H,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyIYNVSBVHGMMBGH-UHFFFAOYSA-N
XLogP7.08
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.67
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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US12053473, Example I-191
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide (CID 158843553) is 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide is COc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)nc2ncccc12.Cc1[nH]c2ncccc2c(=O)c1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is IYNVSBVHGMMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2.C18H14F3N3O2/c1-11-15(16(27-2)14-7-4-8-23-17(14)25-11)18(26)24-10-12-5-3-6-13(9-12)19(20,21)22;1-10-14(15(25)13-6-3-7-22-16(13)24-10)17(26)23-9-11-4-2-5-12(8-11)18(19,20)21/h3-9H,10H2,1-2H3,(H,24,26);2-8H,9H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide?
4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 736.67 g/mol, XLogP of 7.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158843553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).