5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide

C20H25ClFN3O2 — CID 138995826

IUPAC5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)c1ncc(C(=O)N(C)C)cc1Cl
InChIInChI=1S/C20H25ClFN3O2/c1-13(2)11-25(12-18(26)14-5-7-16(22)8-6-14)19-17(21)9-15(10-23-19)20(27)24(3)4/h5-10,13,18,26H,11-12H2,1-4H3
InChIKeyNGFMYSCNMAVUTM-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.77
Rot. Bonds7

About 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide

5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 138995826) has the molecular formula C20H25ClFN3O2 and a molecular weight of 393.89 g/mol. Its IUPAC name is 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID138995826
Molecular FormulaC20H25ClFN3O2
Molecular Weight393.89 g/mol
Exact Mass393.16
IUPAC Name5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(C)CN(CC(O)c1ccc(F)cc1)c1ncc(C(=O)N(C)C)cc1Cl
InChIInChI=1S/C20H25ClFN3O2/c1-13(2)11-25(12-18(26)14-5-7-16(22)8-6-14)19-17(21)9-15(10-23-19)20(27)24(3)4/h5-10,13,18,26H,11-12H2,1-4H3
InChIKeyNGFMYSCNMAVUTM-UHFFFAOYSA-N
XLogP3.77
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 53320789
2-[2-(4-chlorophenyl)morpholin-4-yl]-N,N-dimethylnicotinamide
CID 56869037
2-(4-Chlorophenyl)-4-[3-(pyrrolidin-1-ylcarbonyl)pyridin-2-yl]morpholine
CID 56878296
3-[2-Hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidin-4-one
CID 47053213
[5-Chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 71886055
6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 96998195
2-[benzyl(methyl)amino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 11191354
N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 24994849
4-[(1S)-1-[[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 57572279
4-[(1S)-1-[[5-chloro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 57572289
4-[(1S)-1-[[5-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 57572346
5-Chloro-6-[(4-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 61413413

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide (CID 138995826) is 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide is CC(C)CN(CC(O)c1ccc(F)cc1)c1ncc(C(=O)N(C)C)cc1Cl.
What is the InChIKey of 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is NGFMYSCNMAVUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O2/c1-13(2)11-25(12-18(26)14-5-7-16(22)8-6-14)19-17(21)9-15(10-23-19)20(27)24(3)4/h5-10,13,18,26H,11-12H2,1-4H3.
What are the key properties of 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide?
5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 393.89 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 138995826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).