6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide

C17H25ClFN3O3 — CID 90155162

IUPAC6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@H]1CCCC(O)C1
InChIInChI=1S/C17H25ClFN3O3/c1-17(2,25)14(19)9-21-16(24)12-8-20-15(18)7-13(12)22-10-4-3-5-11(23)6-10/h7-8,10-11,14,23,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24)/t10-,11?,14+/m0/s1
InChIKeyADJHXCKHZYSIDF-PFSRQVJMSA-N
MW373.86 g/mol
LogP2.29
Rot. Bonds6

About 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide

6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 90155162) has the molecular formula C17H25ClFN3O3 and a molecular weight of 373.86 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
PubChem CID90155162
Molecular FormulaC17H25ClFN3O3
Molecular Weight373.86 g/mol
Exact Mass373.16
IUPAC Name6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@H]1CCCC(O)C1
InChIInChI=1S/C17H25ClFN3O3/c1-17(2,25)14(19)9-21-16(24)12-8-20-15(18)7-13(12)22-10-4-3-5-11(23)6-10/h7-8,10-11,14,23,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24)/t10-,11?,14+/m0/s1
InChIKeyADJHXCKHZYSIDF-PFSRQVJMSA-N
XLogP2.29
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide (CID 90155162) is 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1N[C@H]1CCCC(O)C1.
What is the InChIKey of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is ADJHXCKHZYSIDF-PFSRQVJMSA-N. The full InChI is InChI=1S/C17H25ClFN3O3/c1-17(2,25)14(19)9-21-16(24)12-8-20-15(18)7-13(12)22-10-4-3-5-11(23)6-10/h7-8,10-11,14,23,25H,3-6,9H2,1-2H3,(H,20,22)(H,21,24)/t10-,11?,14+/m0/s1.
What are the key properties of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide?
6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 2.29, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(1S)-3-hydroxycyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90155162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).