ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C26H37N5O2 — CID 176560444

About ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176560444) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 176560444
• Molecular Formula: C26H37N5O2
• Molecular Weight: 451.62 g/mol
• Exact Mass: 451.29
• IUPAC Name: ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
• SMILES: CC.CCc1ccc(C2=CC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)CC2)nc1OC
• InChI: InChI=1S/C24H31N5O2.C2H6/c1-4-17-6-9-21(27-24(17)31-3)18-5-7-19(15-18)28-11-13-29(14-12-28)20-8-10-22(26-16-20)23(30)25-2;1-2/h6,8-10,15-16,19H,4-5,7,11-14H2,1-3H3,(H,25,30);1-2H3
• InChIKey: OYUBWYIDUXFHKF-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.62
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 176560444) is ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CC.CCc1ccc(C2=CC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)CC2)nc1OC.

What is the InChIKey of ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is OYUBWYIDUXFHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.C2H6/c1-4-17-6-9-21(27-24(17)31-3)18-5-7-19(15-18)28-11-13-29(14-12-28)20-8-10-22(26-16-20)23(30)25-2;1-2/h6,8-10,15-16,19H,4-5,7,11-14H2,1-3H3,(H,25,30);1-2H3.

What are the key properties of ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?

ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 451.62 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).