N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

C109H95N23O5 — CID 158877299

About N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 158877299) has the molecular formula C109H95N23O5 and a molecular weight of 1807.11 g/mol. Its IUPAC name is N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
• PubChem CID: 158877299
• Molecular Formula: C109H95N23O5
• Molecular Weight: 1807.11 g/mol
• Exact Mass: 1805.79
• IUPAC Name: N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
• SMILES: CCc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CCc1ccccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@H]3C#N)cc2c1.Cc1c(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@H]4C#N)cc3c2)cnc2cccnc12.Cc1cc(C)c(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@H]4C#N)cc3c2)cn1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1
• InChI: InChI=1S/C23H18N6O.2C22H20N4O.C21H19N5O.C21H18N4O/c1-12-17(10-27-20-3-2-4-26-22(12)20)13-5-14-8-21(28-11-18(14)19(25)7-13)29-23(30)16-6-15(16)9-24;2*1-2-13-5-3-4-6-17(13)14-7-15-10-21(25-12-19(15)20(24)9-14)26-22(27)18-8-16(18)11-23;1-11-3-12(2)24-9-17(11)13-4-14-7-20(25-10-18(14)19(23)6-13)26-21(27)16-5-15(16)8-22;1-12-4-2-3-5-16(12)13-6-14-9-20(24-11-18(14)19(23)8-13)25-21(26)17-7-15(17)10-22/h2-5,7-8,10-11,15-16H,6,25H2,1H3,(H,28,29,30);2*3-7,9-10,12,16,18H,2,8,24H2,1H3,(H,25,26,27);3-4,6-7,9-10,15-16H,5,23H2,1-2H3,(H,25,26,27);2-6,8-9,11,15,17H,7,23H2,1H3,(H,24,25,26)/t15-,16+;16-,18-;;15-,16+;/m00.0./s1
• InChIKey: JCPDCWWNXGLWGD-XKGATKGBSA-N
• XLogP: 19.61
• TPSA: 497.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.11
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The IUPAC name of N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 158877299) is N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

What is the SMILES notation for N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The canonical SMILES for N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is CCc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.CCc1ccccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@H]3C#N)cc2c1.Cc1c(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@H]4C#N)cc3c2)cnc2cccnc12.Cc1cc(C)c(-c2cc(N)c3cnc(NC(=O)[C@@H]4C[C@H]4C#N)cc3c2)cn1.Cc1ccccc1-c1cc(N)c2cnc(NC(=O)C3CC3C#N)cc2c1.

What is the InChIKey of N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

The InChIKey is JCPDCWWNXGLWGD-XKGATKGBSA-N. The full InChI is InChI=1S/C23H18N6O.2C22H20N4O.C21H19N5O.C21H18N4O/c1-12-17(10-27-20-3-2-4-26-22(12)20)13-5-14-8-21(28-11-18(14)19(25)7-13)29-23(30)16-6-15(16)9-24;2*1-2-13-5-3-4-6-17(13)14-7-15-10-21(25-12-19(15)20(24)9-14)26-22(27)18-8-16(18)11-23;1-11-3-12(2)24-9-17(11)13-4-14-7-20(25-10-18(14)19(23)6-13)26-21(27)16-5-15(16)8-22;1-12-4-2-3-5-16(12)13-6-14-9-20(24-11-18(14)19(23)8-13)25-21(26)17-7-15(17)10-22/h2-5,7-8,10-11,15-16H,6,25H2,1H3,(H,28,29,30);2*3-7,9-10,12,16,18H,2,8,24H2,1H3,(H,25,26,27);3-4,6-7,9-10,15-16H,5,23H2,1-2H3,(H,25,26,27);2-6,8-9,11,15,17H,7,23H2,1H3,(H,24,25,26)/t15-,16+;16-,18-;;15-,16+;/m00.0./s1.

What are the key properties of N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide?

N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 1807.11 g/mol, XLogP of 19.61, 17 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-1,5-naphthyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-ethylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 158877299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).