ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

C29H30F3N3O2 — CID 143662267

IUPACethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC.CCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1C)c(=O)n2C
InChIInChI=1S/C27H24F3N3O2.C2H6/c1-4-6-20-14-24-18(15-31-20)12-23(26(35)33(24)3)22-13-21(10-9-16(22)2)32-25(34)17-7-5-8-19(11-17)27(28,29)30;1-2/h5,7-15H,4,6H2,1-3H3,(H,32,34);1-2H3
InChIKeySUKYSVYGBSSTMY-UHFFFAOYSA-N
MW509.57 g/mol
LogP7.16
Rot. Bonds5

About ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 143662267) has the molecular formula C29H30F3N3O2 and a molecular weight of 509.57 g/mol. Its IUPAC name is ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Nameethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID143662267
Molecular FormulaC29H30F3N3O2
Molecular Weight509.57 g/mol
Exact Mass509.23
IUPAC Nameethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC.CCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1C)c(=O)n2C
InChIInChI=1S/C27H24F3N3O2.C2H6/c1-4-6-20-14-24-18(15-31-20)12-23(26(35)33(24)3)22-13-21(10-9-16(22)2)32-25(34)17-7-5-8-19(11-17)27(28,29)30;1-2/h5,7-15H,4,6H2,1-3H3,(H,32,34);1-2H3
InChIKeySUKYSVYGBSSTMY-UHFFFAOYSA-N
XLogP7.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide 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-[4-methyl-3-[1-methyl-2-oxo-7-(2-pyridin-4-ylethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 24952423
N-[3-[7-[3-(dimethylamino)propylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59833794
N-[4-methyl-3-[1-methyl-2-oxo-7-[3-(prop-1-en-2-ylamino)anilino]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 143032078
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
N-[3-[7-(2-aminoethyl)-1-(2-hydroxyethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-methylbenzamide
CID 24956692
N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158809590
N-[3-(7-amino-2-oxo-1H-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 143032065
N-[3-(2,8-dimethyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;methanamine
CID 143161554
N-[3-(2-chloro-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59723641
N-[4-chloro-3-(8-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 69287105
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
CID 59212346
4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 59833838

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 143662267) is ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is CC.CCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1C)c(=O)n2C.
What is the InChIKey of ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SUKYSVYGBSSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O2.C2H6/c1-4-6-20-14-24-18(15-31-20)12-23(26(35)33(24)3)22-13-21(10-9-16(22)2)32-25(34)17-7-5-8-19(11-17)27(28,29)30;1-2/h5,7-15H,4,6H2,1-3H3,(H,32,34);1-2H3.
What are the key properties of ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 509.57 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143662267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).