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

C24H31ClF2N6O2 — CID 144625423

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

6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane (PubChem CID 144625423) has the molecular formula C24H31ClF2N6O2 and a molecular weight of 509.00 g/mol. Its IUPAC name is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane
• PubChem CID: 144625423
• Molecular Formula: C24H31ClF2N6O2
• Molecular Weight: 509.00 g/mol
• Exact Mass: 508.22
• IUPAC Name: 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane
• SMILES: CC.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CCCC1F
• InChI: InChI=1S/C22H25ClF2N6O2.C2H6/c1-22(2,33)18(25)11-29-21(32)13-10-27-19(7-17(13)30-16-5-3-4-15(16)24)31-20-14(23)6-12(8-26)9-28-20;1-2/h6-7,9-10,15-16,18,33H,3-5,11H2,1-2H3,(H,29,32)(H2,27,28,30,31);1-2H3/t15?,16?,18-;/m1./s1
• InChIKey: DKJKXLCGEPGRQL-DZEXQWFQSA-N
• XLogP: 4.91
• TPSA: 122.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.00
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane?

The IUPAC name of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane (CID 144625423) is 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane.

What is the SMILES notation for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane?

The canonical SMILES for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane is CC.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CCCC1F.

What is the InChIKey of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane?

The InChIKey is DKJKXLCGEPGRQL-DZEXQWFQSA-N. The full InChI is InChI=1S/C22H25ClF2N6O2.C2H6/c1-22(2,33)18(25)11-29-21(32)13-10-27-19(7-17(13)30-16-5-3-4-15(16)24)31-20-14(23)6-12(8-26)9-28-20;1-2/h6-7,9-10,15-16,18,33H,3-5,11H2,1-2H3,(H,29,32)(H2,27,28,30,31);1-2H3/t15?,16?,18-;/m1./s1.

What are the key properties of 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane?

6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane has a molecular weight of 509.00 g/mol, XLogP of 4.91, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chloro-5-cyano-2-pyridinyl)amino]-4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 144625423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).