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

C19H22F2N6O2 — CID 90154972

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

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 90154972) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• PubChem CID: 90154972
• Molecular Formula: C19H22F2N6O2
• Molecular Weight: 404.42 g/mol
• Exact Mass: 404.18
• IUPAC Name: 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• SMILES: CCNc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O
• InChI: InChI=1S/C19H22F2N6O2/c1-4-23-14-6-16(27-17-13(20)5-11(7-22)8-25-17)24-9-12(14)18(28)26-10-15(21)19(2,3)29/h5-6,8-9,15,29H,4,10H2,1-3H3,(H,26,28)(H2,23,24,25,27)/t15-/m1/s1
• InChIKey: JIZWBYYBAKOVNC-OAHLLOKOSA-N
• XLogP: 2.50
• TPSA: 122.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.42
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 90154972) is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CCNc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O.

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

The InChIKey is JIZWBYYBAKOVNC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c1-4-23-14-6-16(27-17-13(20)5-11(7-22)8-25-17)24-9-12(14)18(28)26-10-15(21)19(2,3)29/h5-6,8-9,15,29H,4,10H2,1-3H3,(H,26,28)(H2,23,24,25,27)/t15-/m1/s1.

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

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 90154972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).