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

C19H20ClFN4O2 — CID 154666968

IUPAC2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
SMILESCc1nc(NC(CCO)C(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C19H20ClFN4O2/c1-11-15(10-22)18(23-12(2)17(11)20)24-16(8-9-26)19(27)25(3)14-6-4-13(21)5-7-14/h4-7,16,26H,8-9H2,1-3H3,(H,23,24)
InChIKeyVBANUPBWXKKZDC-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.19
Rot. Bonds6

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

2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 154666968) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
PubChem CID154666968
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC Name2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide
SMILESCc1nc(NC(CCO)C(=O)N(C)c2ccc(F)cc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C19H20ClFN4O2/c1-11-15(10-22)18(23-12(2)17(11)20)24-16(8-9-26)19(27)25(3)14-6-4-13(21)5-7-14/h4-7,16,26H,8-9H2,1-3H3,(H,23,24)
InChIKeyVBANUPBWXKKZDC-UHFFFAOYSA-N
XLogP3.19
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide with MolForge

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Related Compounds

(2S)-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide;(2R)-2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)-N-methylpropanamide;molecular hydrogen
CID 164999223
(2S)-2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107827366
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
N-(4-fluorophenyl)-N-methyl-2-(methylamino)propanamide
CID 62639733
(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827402
N-(3-cyanophenyl)-1-[(4-fluorophenyl)methyl]-N,5-dimethyltriazole-4-carboxamide
CID 167799924
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
ethyl 4-cyano-5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 2672014
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 162471156
2-(3,5-dichloroanilino)-N-(4-fluorophenyl)-N-methylacetamide
CID 154666950
N-(5-chloro-4,6-dimethyl-3-pyridinyl)-4-fluorobenzamide
CID 75537596
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide (CID 154666968) is 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide is Cc1nc(NC(CCO)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)-4-hydroxy-N-methylbutanamide?
The InChIKey is VBANUPBWXKKZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c1-11-15(10-22)18(23-12(2)17(11)20)24-16(8-9-26)19(27)25(3)14-6-4-13(21)5-7-14/h4-7,16,26H,8-9H2,1-3H3,(H,23,24).
What are the key properties of 2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide?
2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-(4-fluorophenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 390.85 g/mol, XLogP of 3.19, 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)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 154666968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).