N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide

C33H38N6O4 — CID 146676212

About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 146676212) has the molecular formula C33H38N6O4 and a molecular weight of 582.71 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide
• PubChem CID: 146676212
• Molecular Formula: C33H38N6O4
• Molecular Weight: 582.71 g/mol
• Exact Mass: 582.30
• IUPAC Name: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide
• SMILES: CNc1cc(OC)ccc1OC1CCN(C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)cn2)CC1
• InChI: InChI=1S/C33H38N6O4/c1-35-30-19-28(42-2)8-10-31(30)43-27-13-17-39(18-14-27)33(41)29-9-7-25(21-36-29)32(40)37-26-11-15-38(16-12-26)22-24-5-3-23(20-34)4-6-24/h3-10,19,21,26-27,35H,11-18,22H2,1-2H3,(H,37,40)
• InChIKey: OLOZIBNMGBLLJM-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 119.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.71
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide?

The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide (CID 146676212) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide is CNc1cc(OC)ccc1OC1CCN(C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)cn2)CC1.

What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide?

The InChIKey is OLOZIBNMGBLLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O4/c1-35-30-19-28(42-2)8-10-31(30)43-27-13-17-39(18-14-27)33(41)29-9-7-25(21-36-29)32(40)37-26-11-15-38(16-12-26)22-24-5-3-23(20-34)4-6-24/h3-10,19,21,26-27,35H,11-18,22H2,1-2H3,(H,37,40).

What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide?

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 582.71 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[4-[4-methoxy-2-(methylamino)phenoxy]piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 146676212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).