2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

C24H22ClFN4O2 — CID 155040657

IUPAC2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCc1nc(NC(Cc2ccc(O)cc2)C(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C24H22ClFN4O2/c1-14-20(13-27)23(28-15(2)22(14)25)29-21(12-16-4-10-19(31)11-5-16)24(32)30(3)18-8-6-17(26)7-9-18/h4-11,21,31H,12H2,1-3H3,(H,28,29)
InChIKeyGAOKOOKINHRQCC-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.75
Rot. Bonds6

About 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide

2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 155040657) has the molecular formula C24H22ClFN4O2 and a molecular weight of 452.92 g/mol. Its IUPAC name is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID155040657
Molecular FormulaC24H22ClFN4O2
Molecular Weight452.92 g/mol
Exact Mass452.14
IUPAC Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCc1nc(NC(Cc2ccc(O)cc2)C(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C24H22ClFN4O2/c1-14-20(13-27)23(28-15(2)22(14)25)29-21(12-16-4-10-19(31)11-5-16)24(32)30(3)18-8-6-17(26)7-9-18/h4-11,21,31H,12H2,1-3H3,(H,28,29)
InChIKeyGAOKOOKINHRQCC-UHFFFAOYSA-N
XLogP4.75
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-4-fluorophenyl]-4-methylpentanamide
CID 136119423
(2S)-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 154666927
(2R)-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 154667001
N-[2-[but-3-enyl-[C-[5-chloro-2-(2-ethyl-N-formylanilino)-6-(2-fluoro-6-hydroxyphenyl)-3-pyridinyl]-N-methylcarbonimidoyl]amino]propyl]formamide
CID 170280168
N-[2-[but-3-enyl-[C-[5-chloro-2-(2-chloro-N-formylanilino)-6-(2-fluoro-6-hydroxyphenyl)-3-pyridinyl]-N-methylcarbonimidoyl]amino]propyl]formamide
CID 170280170
N-[2-[5-chloro-6-(5-fluoro-2-hydroxyphenyl)-2-(N-formyl-2-propan-2-ylanilino)-3-pyridinyl]propyl]-N-[2-(methylamino)ethyl]prop-2-enamide
CID 170280374
N-[2-[(4-chlorophenyl)methylamino]-1-[2-(methylamino)-3-pyridinyl]-2-oxoethyl]-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)propanamide
CID 176686992
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 24682347
N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 24682349
N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 30092250
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 33733053
N-[2-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
CID 137290608

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 155040657) is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is Cc1nc(NC(Cc2ccc(O)cc2)C(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is GAOKOOKINHRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2/c1-14-20(13-27)23(28-15(2)22(14)25)29-21(12-16-4-10-19(31)11-5-16)24(32)30(3)18-8-6-17(26)7-9-18/h4-11,21,31H,12H2,1-3H3,(H,28,29).
What are the key properties of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide?
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 452.92 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 155040657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).