(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H23N5O — CID 97199720

About (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97199720) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97199720
• Molecular Formula: C21H23N5O
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.19
• IUPAC Name: (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1ccncc1C(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1
• InChI: InChI=1S/C21H23N5O/c1-16-6-8-23-13-19(16)21(27)26-10-3-5-18(15-26)20-24-9-11-25(20)14-17-4-2-7-22-12-17/h2,4,6-9,11-13,18H,3,5,10,14-15H2,1H3/t18-/m0/s1
• InChIKey: ATRATVFXSDIWBY-SFHVURJKSA-N
• XLogP: 3.05
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97199720) is (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ccncc1C(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1.

What is the InChIKey of (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is ATRATVFXSDIWBY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-6-8-23-13-19(16)21(27)26-10-3-5-18(15-26)20-24-9-11-25(20)14-17-4-2-7-22-12-17/h2,4,6-9,11-13,18H,3,5,10,14-15H2,1H3/t18-/m0/s1.

What are the key properties of (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97199720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).