6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C14H20ClF2N3O2 — CID 90134494

IUPAC6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Cl)ncc1C(=O)NCC(F)(F)C(C)(C)O
InChIInChI=1S/C14H20ClF2N3O2/c1-8(2)20-10-5-11(15)18-6-9(10)12(21)19-7-14(16,17)13(3,4)22/h5-6,8,22H,7H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyZHILEFSSVLWZTG-UHFFFAOYSA-N
MW335.78 g/mol
LogP2.69
Rot. Bonds6

About 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90134494) has the molecular formula C14H20ClF2N3O2 and a molecular weight of 335.78 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90134494
Molecular FormulaC14H20ClF2N3O2
Molecular Weight335.78 g/mol
Exact Mass335.12
IUPAC Name6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Cl)ncc1C(=O)NCC(F)(F)C(C)(C)O
InChIInChI=1S/C14H20ClF2N3O2/c1-8(2)20-10-5-11(15)18-6-9(10)12(21)19-7-14(16,17)13(3,4)22/h5-6,8,22H,7H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyZHILEFSSVLWZTG-UHFFFAOYSA-N
XLogP2.69
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 138704785
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609966
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 90154630
6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90154764
2-[[6-chloro-4-(propan-2-ylamino)pyridine-3-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 135307805
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide
CID 138704638
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 105056220
6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 139508071
6-(5-bromopyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206138
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-6-pyrazolo[3,4-d]pyrimidin-1-ylpyridine-3-carboxamide
CID 118206235

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90134494) is 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Cl)ncc1C(=O)NCC(F)(F)C(C)(C)O.
What is the InChIKey of 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is ZHILEFSSVLWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF2N3O2/c1-8(2)20-10-5-11(15)18-6-9(10)12(21)19-7-14(16,17)13(3,4)22/h5-6,8,22H,7H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 335.78 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90134494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).