3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide

C18H13ClF5N3O2 — CID 144693210

IUPAC3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](C[C@@H](O)C(F)(F)F)c1cc(NC(=O)c2ncc(C#N)cc2Cl)cc(F)c1F
InChIInChI=1S/C18H13ClF5N3O2/c1-8(2-14(28)18(22,23)24)11-4-10(5-13(20)15(11)21)27-17(29)16-12(19)3-9(6-25)7-26-16/h3-5,7-8,14,28H,2H2,1H3,(H,27,29)/t8-,14-/m1/s1
InChIKeyLCMFZLPQTVNQIP-XLKFXECMSA-N
MW433.76 g/mol
LogP4.55
Rot. Bonds5

About 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide

3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 144693210) has the molecular formula C18H13ClF5N3O2 and a molecular weight of 433.76 g/mol. Its IUPAC name is 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID144693210
Molecular FormulaC18H13ClF5N3O2
Molecular Weight433.76 g/mol
Exact Mass433.06
IUPAC Name3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](C[C@@H](O)C(F)(F)F)c1cc(NC(=O)c2ncc(C#N)cc2Cl)cc(F)c1F
InChIInChI=1S/C18H13ClF5N3O2/c1-8(2-14(28)18(22,23)24)11-4-10(5-13(20)15(11)21)27-17(29)16-12(19)3-9(6-25)7-26-16/h3-5,7-8,14,28H,2H2,1H3,(H,27,29)/t8-,14-/m1/s1
InChIKeyLCMFZLPQTVNQIP-XLKFXECMSA-N
XLogP4.55
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.76
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide (CID 144693210) is 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide is C[C@H](C[C@@H](O)C(F)(F)F)c1cc(NC(=O)c2ncc(C#N)cc2Cl)cc(F)c1F.
What is the InChIKey of 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is LCMFZLPQTVNQIP-XLKFXECMSA-N. The full InChI is InChI=1S/C18H13ClF5N3O2/c1-8(2-14(28)18(22,23)24)11-4-10(5-13(20)15(11)21)27-17(29)16-12(19)3-9(6-25)7-26-16/h3-5,7-8,14,28H,2H2,1H3,(H,27,29)/t8-,14-/m1/s1.
What are the key properties of 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide?
3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 433.76 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyano-N-[3,4-difluoro-5-[(2R,4R)-5,5,5-trifluoro-4-hydroxypentan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 144693210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).