1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide

C24H31N5O2 — CID 55820207

About 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide

1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 55820207) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
• PubChem CID: 55820207
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
• SMILES: Cc1cccc(NC(=O)N2CCCC(C(=O)NCc3ccc(N4CCCC4)nc3)C2)c1
• InChI: InChI=1S/C24H31N5O2/c1-18-6-4-8-21(14-18)27-24(31)29-13-5-7-20(17-29)23(30)26-16-19-9-10-22(25-15-19)28-11-2-3-12-28/h4,6,8-10,14-15,20H,2-3,5,7,11-13,16-17H2,1H3,(H,26,30)(H,27,31)
• InChIKey: UUEVFVDWTZAAMI-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide?

The IUPAC name of 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide (CID 55820207) is 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide.

What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide?

The canonical SMILES for 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NCc3ccc(N4CCCC4)nc3)C2)c1.

What is the InChIKey of 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide?

The InChIKey is UUEVFVDWTZAAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-18-6-4-8-21(14-18)27-24(31)29-13-5-7-20(17-29)23(30)26-16-19-9-10-22(25-15-19)28-11-2-3-12-28/h4,6,8-10,14-15,20H,2-3,5,7,11-13,16-17H2,1H3,(H,26,30)(H,27,31).

What are the key properties of 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide?

1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55820207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).