4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide

C24H24ClFN4O2 — CID 118211328

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(C)(C)CO
InChIInChI=1S/C24H24ClFN4O2/c1-14(2)17-12-28-21(16-9-15(25)5-6-19(16)26)10-22(17)29-20-7-8-27-11-18(20)23(32)30-24(3,4)13-31/h5-12,31H,1,13H2,2-4H3,(H,30,32)(H,27,28,29)
InChIKeyDSJFEZATROEIML-UHFFFAOYSA-N
MW454.93 g/mol
LogP5.21
Rot. Bonds7

About 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 118211328) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
PubChem CID118211328
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
SMILESC=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(C)(C)CO
InChIInChI=1S/C24H24ClFN4O2/c1-14(2)17-12-28-21(16-9-15(25)5-6-19(16)26)10-22(17)29-20-7-8-27-11-18(20)23(32)30-24(3,4)13-31/h5-12,31H,1,13H2,2-4H3,(H,30,32)(H,27,28,29)
InChIKeyDSJFEZATROEIML-UHFFFAOYSA-N
XLogP5.21
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.93
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

4-((2-(5-Chloro-2-fluorophenyl)-5-isopropylpyridin-4-yl)amino)-N-(1,3-dihydroxypropan-2-yl)nicotinamide
CID 118211239
Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-ethylpyridin-4-ylamino)-N-(2-hydroxy propyl)nicotinamide
CID 91820701
Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211014
Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-(pyrrolidin-1-yl)pyridin-4-yl]amino}-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 118211070
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-2-methylnicotinamide
CID 42618047
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 44626323
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2,6-dimethylnicotinamide
CID 45485759
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide
CID 52943290
Synthesis of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211175
Synthesis of N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211314
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-[2-(methane sulfonamido)ethyl]pyridine-3-carboxamide
CID 118211373
Synthesis of (S)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-(2-hydroxy propyl)pyridine-3-carboxamide
CID 118219043

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide (CID 118211328) is 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide is C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)NC(C)(C)CO.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is DSJFEZATROEIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c1-14(2)17-12-28-21(16-9-15(25)5-6-19(16)26)10-22(17)29-20-7-8-27-11-18(20)23(32)30-24(3,4)13-31/h5-12,31H,1,13H2,2-4H3,(H,30,32)(H,27,28,29).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide?
4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 454.93 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118211328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).