N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

C23H24F3N5O2 — CID 155216349

IUPACN-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3cnc(N(C)C)c(N)c3)c2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C23H24F3N5O2/c1-5-31-12-15(8-18(22(31)33)23(24,25)26)21(32)29-16-7-6-13(2)17(10-16)14-9-19(27)20(28-11-14)30(3)4/h6-12H,5,27H2,1-4H3,(H,29,32)
InChIKeyGFROULRNDILMJJ-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.16
Rot. Bonds5

About N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 155216349) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID155216349
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3cnc(N(C)C)c(N)c3)c2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C23H24F3N5O2/c1-5-31-12-15(8-18(22(31)33)23(24,25)26)21(32)29-16-7-6-13(2)17(10-16)14-9-19(27)20(28-11-14)30(3)4/h6-12H,5,27H2,1-4H3,(H,29,32)
InChIKeyGFROULRNDILMJJ-UHFFFAOYSA-N
XLogP4.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 90409532
N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 130405036
4-[(dimethylamino)methyl]-N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide
CID 11719630
N-[3-[(10R,11R,15R)-8-ethyl-9-oxo-13-oxa-6,8-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2(7),3,5-trien-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129272030
N-[3-(8-ethyl-9-oxo-13-oxa-6,8-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2(7),3,5-trien-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137361907
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
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
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-phenyl-3-(trifluoromethyl)phenyl]benzamide
CID 71211094
4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90456280
3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide
CID 70860455
N-[3-[(1S,10S,11S,15S)-8-ethyl-9-hydroxy-13-oxa-6,8-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2(7),3,5-trien-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 139393819

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (CID 155216349) is N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(C)c(-c3cnc(N(C)C)c(N)c3)c2)cc(C(F)(F)F)c1=O.
What is the InChIKey of N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GFROULRNDILMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-5-31-12-15(8-18(22(31)33)23(24,25)26)21(32)29-16-7-6-13(2)17(10-16)14-9-19(27)20(28-11-14)30(3)4/h6-12H,5,27H2,1-4H3,(H,29,32).
What are the key properties of N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155216349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).