6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide

C22H26ClFN6O3 — CID 90154861

IUPAC6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CCCC1O
InChIInChI=1S/C22H26ClFN6O3/c1-22(2,33)18(24)11-28-21(32)13-10-26-19(7-16(13)29-15-4-3-5-17(15)31)30-20-14(23)6-12(8-25)9-27-20/h6-7,9-10,15,17-18,31,33H,3-5,11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t15?,17?,18-/m1/s1
InChIKeyUMPRKHIYTDRKFL-VMWRSERWSA-N
MW476.94 g/mol
LogP2.91
Rot. Bonds8

About 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide

6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide (PubChem CID 90154861) has the molecular formula C22H26ClFN6O3 and a molecular weight of 476.94 g/mol. Its IUPAC name is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide
PubChem CID90154861
Molecular FormulaC22H26ClFN6O3
Molecular Weight476.94 g/mol
Exact Mass476.17
IUPAC Name6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CCCC1O
InChIInChI=1S/C22H26ClFN6O3/c1-22(2,33)18(24)11-28-21(32)13-10-26-19(7-16(13)29-15-4-3-5-17(15)31)30-20-14(23)6-12(8-25)9-27-20/h6-7,9-10,15,17-18,31,33H,3-5,11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t15?,17?,18-/m1/s1
InChIKeyUMPRKHIYTDRKFL-VMWRSERWSA-N
XLogP2.91
TPSA143.19 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 52.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

CID 90134560
CID 90134560
CID 75204288
CID 75204288
CID 90154381
CID 90154381
CID 90154630
CID 90154630
CID 90154917
CID 90154917
CID 75202516
CID 75202516
CID 75202517
CID 75202517
CID 75202518
CID 75202518
CID 75202519
CID 75202519
CID 75202520
CID 75202520
CID 75202654
CID 75202654
CID 75204171
CID 75204171

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide (CID 90154861) is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CCCC1O.
What is the InChIKey of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide?
The InChIKey is UMPRKHIYTDRKFL-VMWRSERWSA-N. The full InChI is InChI=1S/C22H26ClFN6O3/c1-22(2,33)18(24)11-28-21(32)13-10-26-19(7-16(13)29-15-4-3-5-17(15)31)30-20-14(23)6-12(8-25)9-27-20/h6-7,9-10,15,17-18,31,33H,3-5,11H2,1-2H3,(H,28,32)(H2,26,27,29,30)/t15?,17?,18-/m1/s1.
What are the key properties of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide?
6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 2.91, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxycyclopentyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90154861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).