N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C19H18F3N3O2 — CID 134810083

IUPACN-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1cnc2c(c1)N(C(=O)Cc1cccc(C(F)(F)F)c1)CCC2
InChIInChI=1S/C19H18F3N3O2/c1-23-18(27)13-10-16-15(24-11-13)6-3-7-25(16)17(26)9-12-4-2-5-14(8-12)19(20,21)22/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,23,27)
InChIKeyRXLSCUFNJLKGDZ-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.98
Rot. Bonds3

About N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134810083) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134810083
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1cnc2c(c1)N(C(=O)Cc1cccc(C(F)(F)F)c1)CCC2
InChIInChI=1S/C19H18F3N3O2/c1-23-18(27)13-10-16-15(24-11-13)6-3-7-25(16)17(26)9-12-4-2-5-14(8-12)19(20,21)22/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,23,27)
InChIKeyRXLSCUFNJLKGDZ-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134810083) is N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is CNC(=O)c1cnc2c(c1)N(C(=O)Cc1cccc(C(F)(F)F)c1)CCC2.
What is the InChIKey of N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is RXLSCUFNJLKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-23-18(27)13-10-16-15(24-11-13)6-3-7-25(16)17(26)9-12-4-2-5-14(8-12)19(20,21)22/h2,4-5,8,10-11H,3,6-7,9H2,1H3,(H,23,27).
What are the key properties of N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134810083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).