N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide

C44H48N4O4 — CID 176788547

About N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide

N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide (PubChem CID 176788547) has the molecular formula C44H48N4O4 and a molecular weight of 696.89 g/mol. Its IUPAC name is N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
• PubChem CID: 176788547
• Molecular Formula: C44H48N4O4
• Molecular Weight: 696.89 g/mol
• Exact Mass: 696.37
• IUPAC Name: N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
• SMILES: CCCN(CCC)c1cncc(NC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)c1
• InChI: InChI=1S/C44H48N4O4/c1-4-24-47(25-5-2)39-28-38(29-45-30-39)46-43(49)36-14-12-34(13-15-36)35-16-20-40(21-17-35)51-31-33-8-18-41(19-9-33)52-42-22-26-48(27-23-42)44(50)37-10-6-32(3)7-11-37/h6-21,28-30,42H,4-5,22-27,31H2,1-3H3,(H,46,49)
• InChIKey: XFVGTTSJKIMDFV-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.89
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?

The IUPAC name of N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide (CID 176788547) is N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide.

What is the SMILES notation for N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?

The canonical SMILES for N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide is CCCN(CCC)c1cncc(NC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)c1.

What is the InChIKey of N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?

The InChIKey is XFVGTTSJKIMDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N4O4/c1-4-24-47(25-5-2)39-28-38(29-45-30-39)46-43(49)36-14-12-34(13-15-36)35-16-20-40(21-17-35)51-31-33-8-18-41(19-9-33)52-42-22-26-48(27-23-42)44(50)37-10-6-32(3)7-11-37/h6-21,28-30,42H,4-5,22-27,31H2,1-3H3,(H,46,49).

What are the key properties of N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?

N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide has a molecular weight of 696.89 g/mol, XLogP of 9.20, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide is sourced from PubChem (CID 176788547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).