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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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).