N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C26H27F3N4O2 — CID 143032066

IUPACN-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCNC1=NCC2C=C(c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)C(=O)N(C)C2C1
InChIInChI=1S/C26H27F3N4O2/c1-4-30-23-13-22-17(14-31-23)11-21(25(35)33(22)3)20-12-19(9-8-15(20)2)32-24(34)16-6-5-7-18(10-16)26(27,28)29/h5-12,17,22H,4,13-14H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyKYLNDWRUDNLFKS-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.52
Rot. Bonds4

About N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 143032066) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID143032066
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC NameN-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCNC1=NCC2C=C(c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)C(=O)N(C)C2C1
InChIInChI=1S/C26H27F3N4O2/c1-4-30-23-13-22-17(14-31-23)11-21(25(35)33(22)3)20-12-19(9-8-15(20)2)32-24(34)16-6-5-7-18(10-16)26(27,28)29/h5-12,17,22H,4,13-14H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyKYLNDWRUDNLFKS-UHFFFAOYSA-N
XLogP4.52
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-(trifluoromethyl)benzamide
CID 54657297
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 143662267
N-[3-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 138714306
2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 90937276
N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
CID 46842664
N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 130405161
N-(2,2-dimethylpropyl)-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 69031645
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-[8-methyl-7-oxo-2-(2-pyrrolidin-1-ylethylamino)pteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 11563019
N-[3-(7-chloro-2-oxo-1-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 163530208
N-[3-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297092

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 143032066) is N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is CCNC1=NCC2C=C(c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)C(=O)N(C)C2C1.
What is the InChIKey of N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KYLNDWRUDNLFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-4-30-23-13-22-17(14-31-23)11-21(25(35)33(22)3)20-12-19(9-8-15(20)2)32-24(34)16-6-5-7-18(10-16)26(27,28)29/h5-12,17,22H,4,13-14H2,1-3H3,(H,30,31)(H,32,34).
What are the key properties of N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 484.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(ethylamino)-1-methyl-2-oxo-4a,5,8,8a-tetrahydro-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143032066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).