3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

C18H18N4OS — CID 23945302

About 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 23945302) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
• PubChem CID: 23945302
• Molecular Formula: C18H18N4OS
• Molecular Weight: 338.44 g/mol
• Exact Mass: 338.12
• IUPAC Name: 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
• SMILES: Cc1ccnc(NC(=O)CCSc2nc3c(cc2C#N)CCC3)c1
• InChI: InChI=1S/C18H18N4OS/c1-12-5-7-20-16(9-12)22-17(23)6-8-24-18-14(11-19)10-13-3-2-4-15(13)21-18/h5,7,9-10H,2-4,6,8H2,1H3,(H,20,22,23)
• InChIKey: UMAXRULUVICOGH-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.44
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

The IUPAC name of 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (CID 23945302) is 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCSc2nc3c(cc2C#N)CCC3)c1.

What is the InChIKey of 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

The InChIKey is UMAXRULUVICOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-5-7-20-16(9-12)22-17(23)6-8-24-18-14(11-19)10-13-3-2-4-15(13)21-18/h5,7,9-10H,2-4,6,8H2,1H3,(H,20,22,23).

What are the key properties of 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?

3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 338.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23945302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).