2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C24H19F3N4O2 — CID 46909358

IUPAC2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17/h2-12H,13-14H2,1H3,(H,30,32)
InChIKeyHTJUWGVCJNDVSK-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.86
Rot. Bonds6

About 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 46909358) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID46909358
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17/h2-12H,13-14H2,1H3,(H,30,32)
InChIKeyHTJUWGVCJNDVSK-UHFFFAOYSA-N
XLogP4.86
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide 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

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide
CID 25262336
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide
CID 25262627
N-(4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)-3-(trifluoromethyl)benzamide
CID 44440302
N-(3-Methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-3-(trifluoromethyl)benzamide
CID 46929544
N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66813927
N-[(3S)-5-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 66814110
7-[2-[[5-(4-Ethylpiperazine-1-carbonyl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2,3-dihydrochromen-4-one
CID 168280849
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
CID 46868887
4-[[(1R)-1-[3-[(6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869845
4-[[3-[[4-Methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762835
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763098
4-{3-[(6-Methoxy-pyridine-3-carbonyl)-amino]-benzylamino}-quinazoline-8-carboxylic acid amide
CID 66763406

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 46909358) is 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is HTJUWGVCJNDVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17/h2-12H,13-14H2,1H3,(H,30,32).
What are the key properties of 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46909358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).