4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H22F3N5O — CID 118911208

IUPAC4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)n2)C3)c(C)c1
InChIInChI=1S/C23H22F3N5O/c1-13-3-4-16(14(2)9-13)18-10-19(21(27)32)30-20-12-31(8-6-17(18)20)11-15-5-7-28-22(29-15)23(24,25)26/h3-5,7,9-10H,6,8,11-12H2,1-2H3,(H2,27,32)
InChIKeyOPVLVNLVXVHOAI-UHFFFAOYSA-N
MW441.46 g/mol
LogP3.83
Rot. Bonds4

About 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911208) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911208
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)n2)C3)c(C)c1
InChIInChI=1S/C23H22F3N5O/c1-13-3-4-16(14(2)9-13)18-10-19(21(27)32)30-20-12-31(8-6-17(18)20)11-15-5-7-28-22(29-15)23(24,25)26/h3-5,7,9-10H,6,8,11-12H2,1-2H3,(H2,27,32)
InChIKeyOPVLVNLVXVHOAI-UHFFFAOYSA-N
XLogP3.83
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
4-(4-chloro-2-fluorophenyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911031
4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 154985629
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903677
4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 145025471
7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118913157
4-(2,4-difluorophenyl)-7-[(3-fluoro-5,5-dimethyloxolan-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902417
7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 145025444
(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine
CID 145025485
4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902472
5-(2-fluoro-4-methylphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 134396547
4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911190

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911208) is 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is Cc1ccc(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)n2)C3)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is OPVLVNLVXVHOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c1-13-3-4-16(14(2)9-13)18-10-19(21(27)32)30-20-12-31(8-6-17(18)20)11-15-5-7-28-22(29-15)23(24,25)26/h3-5,7,9-10H,6,8,11-12H2,1-2H3,(H2,27,32).
What are the key properties of 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).