5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide

C22H26F3N5O3 — CID 145083938

About 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide

5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide (PubChem CID 145083938) has the molecular formula C22H26F3N5O3 and a molecular weight of 465.48 g/mol. Its IUPAC name is 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide
• PubChem CID: 145083938
• Molecular Formula: C22H26F3N5O3
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.20
• IUPAC Name: 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide
• SMILES: CC1CCN(c2ccc(C(=O)NC(CCO)C(F)(F)F)nc2CC(=O)Nc2ccccn2)C1
• InChI: InChI=1S/C22H26F3N5O3/c1-14-7-10-30(13-14)17-6-5-15(21(33)28-18(8-11-31)22(23,24)25)27-16(17)12-20(32)29-19-4-2-3-9-26-19/h2-6,9,14,18,31H,7-8,10-13H2,1H3,(H,28,33)(H,26,29,32)
• InChIKey: KKWUQBKTOBVSJB-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 107.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide?

The IUPAC name of 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide (CID 145083938) is 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide?

The canonical SMILES for 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide is CC1CCN(c2ccc(C(=O)NC(CCO)C(F)(F)F)nc2CC(=O)Nc2ccccn2)C1.

What is the InChIKey of 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide?

The InChIKey is KKWUQBKTOBVSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O3/c1-14-7-10-30(13-14)17-6-5-15(21(33)28-18(8-11-31)22(23,24)25)27-16(17)12-20(32)29-19-4-2-3-9-26-19/h2-6,9,14,18,31H,7-8,10-13H2,1H3,(H,28,33)(H,26,29,32).

What are the key properties of 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide?

5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 145083938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).