N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

C63H57N15O6 — CID 158202151

About N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 158202151) has the molecular formula C63H57N15O6 and a molecular weight of 1120.25 g/mol. Its IUPAC name is N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
• PubChem CID: 158202151
• Molecular Formula: C63H57N15O6
• Molecular Weight: 1120.25 g/mol
• Exact Mass: 1119.46
• IUPAC Name: N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
• SMILES: N#CC1CC1C(=O)Nc1cc2cc(-c3cnccc3CCO)cc(N)c2cn1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3CCO)cc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnccc3CCO)cc(N)c2cn1
• InChI: InChI=1S/3C21H19N5O2/c3*22-9-15-6-16(15)21(28)26-20-8-14-5-13(7-19(23)18(14)11-25-20)17-10-24-3-1-12(17)2-4-27/h3*1,3,5,7-8,10-11,15-16,27H,2,4,6,23H2,(H,25,26,28)/t2*15-,16+;/m10./s1
• InChIKey: GBBLKDNLOBMBNT-LZOFYGPPSA-N
• XLogP: 7.54
• TPSA: 374.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1120.25
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The IUPAC name of N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 158202151) is N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

What is the SMILES notation for N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The canonical SMILES for N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is N#CC1CC1C(=O)Nc1cc2cc(-c3cnccc3CCO)cc(N)c2cn1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3CCO)cc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnccc3CCO)cc(N)c2cn1.

What is the InChIKey of N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The InChIKey is GBBLKDNLOBMBNT-LZOFYGPPSA-N. The full InChI is InChI=1S/3C21H19N5O2/c3*22-9-15-6-16(15)21(28)26-20-8-14-5-13(7-19(23)18(14)11-25-20)17-10-24-3-1-12(17)2-4-27/h3*1,3,5,7-8,10-11,15-16,27H,2,4,6,23H2,(H,25,26,28)/t2*15-,16+;/m10./s1.

What are the key properties of N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 1120.25 g/mol, XLogP of 7.54, 15 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 158202151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).