[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C21H20ClN5O — CID 66869206

About [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 66869206) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
• PubChem CID: 66869206
• Molecular Formula: C21H20ClN5O
• Molecular Weight: 393.88 g/mol
• Exact Mass: 393.14
• IUPAC Name: [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
• SMILES: Cc1ccc(Nc2ncc(C(=O)N3CCCC3c3ccccn3)cc2Cl)cn1
• InChI: InChI=1S/C21H20ClN5O/c1-14-7-8-16(13-24-14)26-20-17(22)11-15(12-25-20)21(28)27-10-4-6-19(27)18-5-2-3-9-23-18/h2-3,5,7-9,11-13,19H,4,6,10H2,1H3,(H,25,26)
• InChIKey: ODXXMVGQRWUDQD-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.88
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?

The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 66869206) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?

The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCC3c3ccccn3)cc2Cl)cn1.

What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?

The InChIKey is ODXXMVGQRWUDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-14-7-8-16(13-24-14)26-20-17(22)11-15(12-25-20)21(28)27-10-4-6-19(27)18-5-2-3-9-23-18/h2-3,5,7-9,11-13,19H,4,6,10H2,1H3,(H,25,26).

What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 393.88 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66869206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).