2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide

C19H19ClF3N5O2 — CID 175146024

About 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide (PubChem CID 175146024) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide
• PubChem CID: 175146024
• Molecular Formula: C19H19ClF3N5O2
• Molecular Weight: 441.84 g/mol
• Exact Mass: 441.12
• IUPAC Name: 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide
• SMILES: CC(=O)Nc1cc(C(=O)NC2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc(C)n1
• InChI: InChI=1S/C19H19ClF3N5O2/c1-10-5-12(6-16(25-10)26-11(2)29)18(30)27-14-3-4-28(9-14)17-15(20)7-13(8-24-17)19(21,22)23/h5-8,14H,3-4,9H2,1-2H3,(H,27,30)(H,25,26,29)
• InChIKey: IBVOUHFVSNFJKN-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.84
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide?

The IUPAC name of 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide (CID 175146024) is 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide.

What is the SMILES notation for 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide?

The canonical SMILES for 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NC2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)cc(C)n1.

What is the InChIKey of 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide?

The InChIKey is IBVOUHFVSNFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c1-10-5-12(6-16(25-10)26-11(2)29)18(30)27-14-3-4-28(9-14)17-15(20)7-13(8-24-17)19(21,22)23/h5-8,14H,3-4,9H2,1-2H3,(H,27,30)(H,25,26,29).

What are the key properties of 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide?

2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 175146024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).