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

C14H20ClF2N3O3 — CID 118206065

IUPAC6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1NC(CO)CF
InChIInChI=1S/C14H20ClF2N3O3/c1-14(2,23)11(17)6-19-13(22)9-5-18-12(15)3-10(9)20-8(4-16)7-21/h3,5,8,11,21,23H,4,6-7H2,1-2H3,(H,18,20)(H,19,22)/t8?,11-/m1/s1
InChIKeyYPEOXMBVWVCABT-QHDYGNBISA-N
MW351.78 g/mol
LogP1.32
Rot. Bonds8

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

6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 118206065) has the molecular formula C14H20ClF2N3O3 and a molecular weight of 351.78 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide
PubChem CID118206065
Molecular FormulaC14H20ClF2N3O3
Molecular Weight351.78 g/mol
Exact Mass351.12
IUPAC Name6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1NC(CO)CF
InChIInChI=1S/C14H20ClF2N3O3/c1-14(2,23)11(17)6-19-13(22)9-5-18-12(15)3-10(9)20-8(4-16)7-21/h3,5,8,11,21,23H,4,6-7H2,1-2H3,(H,18,20)(H,19,22)/t8?,11-/m1/s1
InChIKeyYPEOXMBVWVCABT-QHDYGNBISA-N
XLogP1.32
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.78
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide (CID 118206065) is 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1NC(CO)CF.
What is the InChIKey of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is YPEOXMBVWVCABT-QHDYGNBISA-N. The full InChI is InChI=1S/C14H20ClF2N3O3/c1-14(2,23)11(17)6-19-13(22)9-5-18-12(15)3-10(9)20-8(4-16)7-21/h3,5,8,11,21,23H,4,6-7H2,1-2H3,(H,18,20)(H,19,22)/t8?,11-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide?
6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 351.78 g/mol, XLogP of 1.32, 8 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-[(1-fluoro-3-hydroxypropan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).