3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine

C21H26N6 — CID 124950083

About 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine

3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 124950083) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine
• PubChem CID: 124950083
• Molecular Formula: C21H26N6
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.22
• IUPAC Name: 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine
• SMILES: Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3cncn3C)C2)ccn1
• InChI: InChI=1S/C21H26N6/c1-16-5-3-8-24-21(16)25-20-11-17(7-9-23-20)18-6-4-10-27(13-18)14-19-12-22-15-26(19)2/h3,5,7-9,11-12,15,18H,4,6,10,13-14H2,1-2H3,(H,23,24,25)/t18-/m0/s1
• InChIKey: CYXLNWKSXJWMLP-SFHVURJKSA-N
• XLogP: 3.64
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine?

The IUPAC name of 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine (CID 124950083) is 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine.

What is the SMILES notation for 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine?

The canonical SMILES for 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine is Cc1cccnc1Nc1cc([C@H]2CCCN(Cc3cncn3C)C2)ccn1.

What is the InChIKey of 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine?

The InChIKey is CYXLNWKSXJWMLP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N6/c1-16-5-3-8-24-21(16)25-20-11-17(7-9-23-20)18-6-4-10-27(13-18)14-19-12-22-15-26(19)2/h3,5,7-9,11-12,15,18H,4,6,10,13-14H2,1-2H3,(H,23,24,25)/t18-/m0/s1.

What are the key properties of 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine?

3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 124950083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).