(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C26H29N5O2 — CID 124940051

About (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124940051) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• PubChem CID: 124940051
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(C)c(NCc3cccnc3)c2)C1
• InChI: InChI=1S/C26H29N5O2/c1-19-9-10-21(15-22(19)30-17-20-7-5-12-28-16-20)24(32)31-14-6-11-26(18-31,25(33)27-2)23-8-3-4-13-29-23/h3-5,7-10,12-13,15-16,30H,6,11,14,17-18H2,1-2H3,(H,27,33)/t26-/m1/s1
• InChIKey: ADOMEBJPSFRSPK-AREMUKBSSA-N
• XLogP: 3.32
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The IUPAC name of (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124940051) is (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(C)c(NCc3cccnc3)c2)C1.

What is the InChIKey of (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The InChIKey is ADOMEBJPSFRSPK-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19-9-10-21(15-22(19)30-17-20-7-5-12-28-16-20)24(32)31-14-6-11-26(18-31,25(33)27-2)23-8-3-4-13-29-23/h3-5,7-10,12-13,15-16,30H,6,11,14,17-18H2,1-2H3,(H,27,33)/t26-/m1/s1.

What are the key properties of (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124940051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).