N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

C23H26N4O2 — CID 124848155

About N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 124848155) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 124848155
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
• SMILES: CCn1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)c1
• InChI: InChI=1S/C23H26N4O2/c1-3-27-13-11-19(17-27)16-26(2)23(29)21(14-18-8-5-4-6-9-18)25-22(28)20-10-7-12-24-15-20/h4-13,15,17,21H,3,14,16H2,1-2H3,(H,25,28)/t21-/m0/s1
• InChIKey: MGVOKHFVBUWWBC-NRFANRHFSA-N
• XLogP: 2.90
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 124848155) is N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is CCn1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)c1.

What is the InChIKey of N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The InChIKey is MGVOKHFVBUWWBC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-27-13-11-19(17-27)16-26(2)23(29)21(14-18-8-5-4-6-9-18)25-22(28)20-10-7-12-24-15-20/h4-13,15,17,21H,3,14,16H2,1-2H3,(H,25,28)/t21-/m0/s1.

What are the key properties of N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 124848155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).