N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide

C28H30N6O — CID 164543526

About N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide

N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide (PubChem CID 164543526) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide
• PubChem CID: 164543526
• Molecular Formula: C28H30N6O
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.25
• IUPAC Name: N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide
• SMILES: Cc1cn(-c2cc(CN3CCC[C@H](N)C3)cc(NC(=O)c3ccc(-c4ccccc4)nc3)c2)cn1
• InChI: InChI=1S/C28H30N6O/c1-20-16-34(19-31-20)26-13-21(17-33-11-5-8-24(29)18-33)12-25(14-26)32-28(35)23-9-10-27(30-15-23)22-6-3-2-4-7-22/h2-4,6-7,9-10,12-16,19,24H,5,8,11,17-18,29H2,1H3,(H,32,35)/t24-/m0/s1
• InChIKey: UXQRHPWBDQTCHF-DEOSSOPVSA-N
• XLogP: 4.42
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide?

The IUPAC name of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide (CID 164543526) is N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide.

What is the SMILES notation for N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide?

The canonical SMILES for N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide is Cc1cn(-c2cc(CN3CCC[C@H](N)C3)cc(NC(=O)c3ccc(-c4ccccc4)nc3)c2)cn1.

What is the InChIKey of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide?

The InChIKey is UXQRHPWBDQTCHF-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H30N6O/c1-20-16-34(19-31-20)26-13-21(17-33-11-5-8-24(29)18-33)12-25(14-26)32-28(35)23-9-10-27(30-15-23)22-6-3-2-4-7-22/h2-4,6-7,9-10,12-16,19,24H,5,8,11,17-18,29H2,1H3,(H,32,35)/t24-/m0/s1.

What are the key properties of N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide?

N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 164543526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).