2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H18N4 — CID 82737349

About 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 82737349) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
• PubChem CID: 82737349
• Molecular Formula: C17H18N4
• Molecular Weight: 278.36 g/mol
• Exact Mass: 278.15
• IUPAC Name: 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
• SMILES: CCc1cccnc1CNc1nc2c(cc1C#N)CCC2
• InChI: InChI=1S/C17H18N4/c1-2-12-6-4-8-19-16(12)11-20-17-14(10-18)9-13-5-3-7-15(13)21-17/h4,6,8-9H,2-3,5,7,11H2,1H3,(H,20,21)
• InChIKey: DOLMEDAWPAKQSS-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.36
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 82737349) is 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCc1cccnc1CNc1nc2c(cc1C#N)CCC2.

What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

The InChIKey is DOLMEDAWPAKQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-12-6-4-8-19-16(12)11-20-17-14(10-18)9-13-5-3-7-15(13)21-17/h4,6,8-9H,2-3,5,7,11H2,1H3,(H,20,21).

What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?

2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 82737349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).