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

C20H25ClN4O — CID 23725759

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 23725759) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone
• PubChem CID: 23725759
• Molecular Formula: C20H25ClN4O
• Molecular Weight: 372.90 g/mol
• Exact Mass: 372.17
• IUPAC Name: [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone
• SMILES: Cc1ccc(Nc2ncc(C(=O)N3CCCCC3C(C)C)cc2Cl)cn1
• InChI: InChI=1S/C20H25ClN4O/c1-13(2)18-6-4-5-9-25(18)20(26)15-10-17(21)19(23-11-15)24-16-8-7-14(3)22-12-16/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,23,24)
• InChIKey: TWZOJPNADIKKCZ-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.90
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone (CID 23725759) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone.

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

The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCCC3C(C)C)cc2Cl)cn1.

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

The InChIKey is TWZOJPNADIKKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-13(2)18-6-4-5-9-25(18)20(26)15-10-17(21)19(23-11-15)24-16-8-7-14(3)22-12-16/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,23,24).

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 372.90 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).