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

C21H27ClN4O — CID 23725919

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone (PubChem CID 23725919) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone
• PubChem CID: 23725919
• Molecular Formula: C21H27ClN4O
• Molecular Weight: 386.93 g/mol
• Exact Mass: 386.19
• IUPAC Name: [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone
• SMILES: CCCC1CCCC(C)N1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
• InChI: InChI=1S/C21H27ClN4O/c1-4-6-18-8-5-7-15(3)26(18)21(27)16-11-19(22)20(24-12-16)25-17-10-9-14(2)23-13-17/h9-13,15,18H,4-8H2,1-3H3,(H,24,25)
• InChIKey: GGGJDPXNTLTHQM-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.93
LogP ≤ 5	5.37
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-methyl-6-propylpiperidin-1-yl)methanone?

The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone (CID 23725919) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone.

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

The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone is CCCC1CCCC(C)N1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1.

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

The InChIKey is GGGJDPXNTLTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-4-6-18-8-5-7-15(3)26(18)21(27)16-11-19(22)20(24-12-16)25-17-10-9-14(2)23-13-17/h9-13,15,18H,4-8H2,1-3H3,(H,24,25).

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone has a molecular weight of 386.93 g/mol, XLogP of 5.37, 5 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-methyl-6-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).