N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride

C21H22ClF3N4O — CID 146064228

IUPACN,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C21H21F3N4O.ClH/c1-4-28(5-2)20(29)17-12-25-19-16(11-6-13(3)26-19)18(17)27-15-9-7-14(8-10-15)21(22,23)24;/h6-12H,4-5H2,1-3H3,(H,25,26,27);1H
InChIKeyLOMKSUNQMBMEKQ-UHFFFAOYSA-N
MW438.88 g/mol
LogP5.60
Rot. Bonds5

About N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride

N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride (PubChem CID 146064228) has the molecular formula C21H22ClF3N4O and a molecular weight of 438.88 g/mol. Its IUPAC name is N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride
PubChem CID146064228
Molecular FormulaC21H22ClF3N4O
Molecular Weight438.88 g/mol
Exact Mass438.14
IUPAC NameN,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C21H21F3N4O.ClH/c1-4-28(5-2)20(29)17-12-25-19-16(11-6-13(3)26-19)18(17)27-15-9-7-14(8-10-15)21(22,23)24;/h6-12H,4-5H2,1-3H3,(H,25,26,27);1H
InChIKeyLOMKSUNQMBMEKQ-UHFFFAOYSA-N
XLogP5.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.88
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064283
methyl 7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132011
4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064240
4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064292
propan-2-yl 4-(4-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063613
propan-2-yl 7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063577
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486
propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
methyl 4-(4-bromoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132036
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
propan-2-yl 4-(4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132109

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride (CID 146064228) is N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride is CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride?
The InChIKey is LOMKSUNQMBMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O.ClH/c1-4-28(5-2)20(29)17-12-25-19-16(11-6-13(3)26-19)18(17)27-15-9-7-14(8-10-15)21(22,23)24;/h6-12H,4-5H2,1-3H3,(H,25,26,27);1H.
What are the key properties of N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride?
N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride has a molecular weight of 438.88 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 146064228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).