N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide

C31H37N3O — CID 42424717

About N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide

N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide (PubChem CID 42424717) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 42424717
• Molecular Formula: C31H37N3O
• Molecular Weight: 467.66 g/mol
• Exact Mass: 467.29
• IUPAC Name: N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
• SMILES: C[C@@H](CN1CCC([C@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1)c1ccccc1
• InChI: InChI=1S/C31H37N3O/c1-24(26-12-6-3-7-13-26)23-33-20-17-27(18-21-33)30(22-25-10-4-2-5-11-25)34(28-15-16-28)31(35)29-14-8-9-19-32-29/h2-14,19,24,27-28,30H,15-18,20-23H2,1H3/t24-,30-/m0/s1
• InChIKey: BGWSLEOHIYNAMM-NGQVCNFZSA-N
• XLogP: 5.81
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.66
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide (CID 42424717) is N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide is C[C@@H](CN1CCC([C@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1)c1ccccc1.

What is the InChIKey of N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is BGWSLEOHIYNAMM-NGQVCNFZSA-N. The full InChI is InChI=1S/C31H37N3O/c1-24(26-12-6-3-7-13-26)23-33-20-17-27(18-21-33)30(22-25-10-4-2-5-11-25)34(28-15-16-28)31(35)29-14-8-9-19-32-29/h2-14,19,24,27-28,30H,15-18,20-23H2,1H3/t24-,30-/m0/s1.

What are the key properties of N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide?

N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 467.66 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 42424717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).