1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone

C26H31N5O — CID 147884305

About 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone

1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone (PubChem CID 147884305) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone
• PubChem CID: 147884305
• Molecular Formula: C26H31N5O
• Molecular Weight: 429.57 g/mol
• Exact Mass: 429.25
• IUPAC Name: 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone
• SMILES: O=C(Cc1cc2cc(-c3cncc(NC4CCNCC4)c3)cnc2cn1)C1CCCCC1
• InChI: InChI=1S/C26H31N5O/c32-26(18-4-2-1-3-5-18)13-23-11-19-10-20(15-30-25(19)17-29-23)21-12-24(16-28-14-21)31-22-6-8-27-9-7-22/h10-12,14-18,22,27,31H,1-9,13H2
• InChIKey: IBALVLUVCOPMRC-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.57
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone?

The IUPAC name of 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone (CID 147884305) is 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone.

What is the SMILES notation for 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone?

The canonical SMILES for 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone is O=C(Cc1cc2cc(-c3cncc(NC4CCNCC4)c3)cnc2cn1)C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone?

The InChIKey is IBALVLUVCOPMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c32-26(18-4-2-1-3-5-18)13-23-11-19-10-20(15-30-25(19)17-29-23)21-12-24(16-28-14-21)31-22-6-8-27-9-7-22/h10-12,14-18,22,27,31H,1-9,13H2.

What are the key properties of 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone?

1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 429.57 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-2-[3-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 147884305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).