5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C20H19N5O2 — CID 11210633

About 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 11210633) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 11210633
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(C#N)ncc2[nH]1
• InChI: InChI=1S/C20H19N5O2/c1-25(2)20(27)17(8-13-6-4-3-5-7-13)24-19(26)16-10-14-9-15(11-21)22-12-18(14)23-16/h3-7,9-10,12,17,23H,8H2,1-2H3,(H,24,26)/t17-/m0/s1
• InChIKey: LDTKLOPRSXXFGJ-KRWDZBQOSA-N
• XLogP: 1.86
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 11210633) is 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(C#N)ncc2[nH]1.

What is the InChIKey of 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is LDTKLOPRSXXFGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(2)20(27)17(8-13-6-4-3-5-7-13)24-19(26)16-10-14-9-15(11-21)22-12-18(14)23-16/h3-7,9-10,12,17,23H,8H2,1-2H3,(H,24,26)/t17-/m0/s1.

What are the key properties of 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11210633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).