6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

C15H19ClF3N3O3 — CID 139508071

IUPAC6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1NC1COCC1(F)F
InChIInChI=1S/C15H19ClF3N3O3/c1-14(2,24)10(17)5-21-13(23)8-4-20-12(16)3-9(8)22-11-6-25-7-15(11,18)19/h3-4,10-11,24H,5-7H2,1-2H3,(H,20,22)(H,21,23)/t10-,11?/m1/s1
InChIKeyKWCANDDGJPXSAV-NFJWQWPMSA-N
MW381.78 g/mol
LogP2.02
Rot. Bonds6

About 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 139508071) has the molecular formula C15H19ClF3N3O3 and a molecular weight of 381.78 g/mol. Its IUPAC name is 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
PubChem CID139508071
Molecular FormulaC15H19ClF3N3O3
Molecular Weight381.78 g/mol
Exact Mass381.11
IUPAC Name6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1NC1COCC1(F)F
InChIInChI=1S/C15H19ClF3N3O3/c1-14(2,24)10(17)5-21-13(23)8-4-20-12(16)3-9(8)22-11-6-25-7-15(11,18)19/h3-4,10-11,24H,5-7H2,1-2H3,(H,20,22)(H,21,23)/t10-,11?/m1/s1
InChIKeyKWCANDDGJPXSAV-NFJWQWPMSA-N
XLogP2.02
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90154764
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide
CID 138704638
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide
CID 146381870
6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146382161
6-chloro-4-[[4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146423188
6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxetan-3-ylamino)pyridine-3-carboxamide
CID 90154696
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(2-oxoazetidin-1-yl)-1-bicyclo[2.2.2]octanyl]amino]pyridine-3-carboxamide
CID 138703556
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(2-oxo-1,3-oxazolidin-3-yl)-1-bicyclo[2.2.2]octanyl]amino]pyridine-3-carboxamide
CID 138704428
6-bromo-4-(cyclohexylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146415703
6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
CID 118206557
6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane
CID 144625423
6-bromo-4-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 90134288

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 139508071) is 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1NC1COCC1(F)F.
What is the InChIKey of 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is KWCANDDGJPXSAV-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H19ClF3N3O3/c1-14(2,24)10(17)5-21-13(23)8-4-20-12(16)3-9(8)22-11-6-25-7-15(11,18)19/h3-4,10-11,24H,5-7H2,1-2H3,(H,20,22)(H,21,23)/t10-,11?/m1/s1.
What are the key properties of 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 381.78 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 139508071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).