N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C24H24F3N5O2 — CID 127047790

IUPACN-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3ccc(N)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O2/c1-31-8-10-32(11-9-31)21-7-4-16(15-2-5-17(28)6-3-15)12-20(21)30-23(34)18-14-29-22(33)13-19(18)24(25,26)27/h2-7,12-14H,8-11,28H2,1H3,(H,29,33)(H,30,34)
InChIKeySSJVLCZVKGGJJO-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.65
Rot. Bonds4

About N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 127047790) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID127047790
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(-c3ccc(N)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F3N5O2/c1-31-8-10-32(11-9-31)21-7-4-16(15-2-5-17(28)6-3-15)12-20(21)30-23(34)18-14-29-22(33)13-19(18)24(25,26)27/h2-7,12-14H,8-11,28H2,1H3,(H,29,33)(H,30,34)
InChIKeySSJVLCZVKGGJJO-UHFFFAOYSA-N
XLogP3.65
TPSA94.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Oicr-9429
CID 91623360
N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218563
N-(2-aminophenyl)-4-(1-{[4-(methylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023859
N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218561
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218562
(2S)-N-(cyanomethyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-piperazin-1-ylphenyl)phenyl]ethyl]amino]pentanamide
CID 155554760
N-(4-amino-biphenyl-3-yl)-4-(propionylamino-methyl)-benzamide
CID 25156241
N-(4-amino-biphenyl-3-yl)-4-(butyrylamino-methyl)-benzamide
CID 25156527
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-phenylethylamino)-1H-pyridine-3-carboxamide
CID 25192905
5-Piperidin-1-ylpentanoic acid(3''-acetylaminobiphenyl-4-yl)amide
CID 45484305
4-Oxo-1-pentyl-6-phenyl-n3-(3(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxamide
CID 49840760
3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylamino)phenyl)-(1H)-pyridin-2-one
CID 52936533

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 127047790) is N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN1CCN(c2ccc(-c3ccc(N)cc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SSJVLCZVKGGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-31-8-10-32(11-9-31)21-7-4-16(15-2-5-17(28)6-3-15)12-20(21)30-23(34)18-14-29-22(33)13-19(18)24(25,26)27/h2-7,12-14H,8-11,28H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 127047790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).