4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide

C24H24FN7O2 — CID 58440304

About 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide

4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 58440304) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
• PubChem CID: 58440304
• Molecular Formula: C24H24FN7O2
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.20
• IUPAC Name: 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
• SMILES: N#Cc1ccc(N2CC[C@@H](Nc3cc(Cc4ccc(F)cn4)ncc3C(N)=O)[C@@H](CO)C2)nc1
• InChI: InChI=1S/C24H24FN7O2/c25-17-2-3-18(28-11-17)7-19-8-22(20(12-29-19)24(27)34)31-21-5-6-32(13-16(21)14-33)23-4-1-15(9-26)10-30-23/h1-4,8,10-12,16,21,33H,5-7,13-14H2,(H2,27,34)(H,29,31)/t16-,21-/m1/s1
• InChIKey: UQDGXWVTEWOQIR-IIBYNOLFSA-N
• XLogP: 1.87
• TPSA: 141.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.50
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?

The IUPAC name of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide (CID 58440304) is 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide is N#Cc1ccc(N2CC[C@@H](Nc3cc(Cc4ccc(F)cn4)ncc3C(N)=O)[C@@H](CO)C2)nc1.

What is the InChIKey of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?

The InChIKey is UQDGXWVTEWOQIR-IIBYNOLFSA-N. The full InChI is InChI=1S/C24H24FN7O2/c25-17-2-3-18(28-11-17)7-19-8-22(20(12-29-19)24(27)34)31-21-5-6-32(13-16(21)14-33)23-4-1-15(9-26)10-30-23/h1-4,8,10-12,16,21,33H,5-7,13-14H2,(H2,27,34)(H,29,31)/t16-,21-/m1/s1.

What are the key properties of 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide?

4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58440304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).