5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C20H19F3N4O — CID 66745542

IUPAC5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2nccc(N(C)C)c2cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O/c1-12-15(10-16-17(27(2)3)7-8-24-18(16)26-12)19(28)25-11-13-5-4-6-14(9-13)20(21,22)23/h4-10H,11H2,1-3H3,(H,25,28)
InChIKeyADNCKOQTXWKPJN-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.95
Rot. Bonds4

About 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 66745542) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID66745542
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2nccc(N(C)C)c2cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O/c1-12-15(10-16-17(27(2)3)7-8-24-18(16)26-12)19(28)25-11-13-5-4-6-14(9-13)20(21,22)23/h4-10H,11H2,1-3H3,(H,25,28)
InChIKeyADNCKOQTXWKPJN-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
CID 5078279
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
1-[[4-(dimethylamino)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 38949105
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 66745542) is 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2nccc(N(C)C)c2cc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is ADNCKOQTXWKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-12-15(10-16-17(27(2)3)7-8-24-18(16)26-12)19(28)25-11-13-5-4-6-14(9-13)20(21,22)23/h4-10H,11H2,1-3H3,(H,25,28).
What are the key properties of 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 66745542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).