3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

C84H73N15O8S2 — CID 158753226

About 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 158753226) has the molecular formula C84H73N15O8S2 and a molecular weight of 1484.74 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
• PubChem CID: 158753226
• Molecular Formula: C84H73N15O8S2
• Molecular Weight: 1484.74 g/mol
• Exact Mass: 1483.52
• IUPAC Name: 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
• SMILES: CC(C)(C#N)CN.CC(C)(C#N)CNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.CC(C)(C#N)CNC(=O)c1cccc(-c2cnc3c(c2)cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)n1.O=C(O)c1cccc(-c2cnc3c(c2)cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)n1
• InChI: InChI=1S/C30H25N5O3S.C25H17N3O4S.C24H21N5O.C5H10N2/c1-30(2,19-31)20-33-29(36)26-15-9-14-25(34-26)23-16-22-17-27(21-10-5-3-6-11-21)35(28(22)32-18-23)39(37,38)24-12-7-4-8-13-24;29-25(30)22-13-7-12-21(27-22)19-14-18-15-23(17-8-3-1-4-9-17)28(24(18)26-16-19)33(31,32)20-10-5-2-6-11-20;1-24(2,14-25)15-27-23(30)20-10-6-9-19(28-20)18-11-17-12-21(29-22(17)26-13-18)16-7-4-3-5-8-16;1-5(2,3-6)4-7/h3-18H,20H2,1-2H3,(H,33,36);1-16H,(H,29,30);3-13H,15H2,1-2H3,(H,26,29)(H,27,30);3,6H2,1-2H3
• InChIKey: INSXPZUISNPWOF-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 364.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.74
LogP ≤ 5	15.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

The IUPAC name of 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 158753226) is 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

The canonical SMILES for 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is CC(C)(C#N)CN.CC(C)(C#N)CNC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1.CC(C)(C#N)CNC(=O)c1cccc(-c2cnc3c(c2)cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)n1.O=C(O)c1cccc(-c2cnc3c(c2)cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)n1.

What is the InChIKey of 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

The InChIKey is INSXPZUISNPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O3S.C25H17N3O4S.C24H21N5O.C5H10N2/c1-30(2,19-31)20-33-29(36)26-15-9-14-25(34-26)23-16-22-17-27(21-10-5-3-6-11-21)35(28(22)32-18-23)39(37,38)24-12-7-4-8-13-24;29-25(30)22-13-7-12-21(27-22)19-14-18-15-23(17-8-3-1-4-9-17)28(24(18)26-16-19)33(31,32)20-10-5-2-6-11-20;1-24(2,14-25)15-27-23(30)20-10-6-9-19(28-20)18-11-17-12-21(29-22(17)26-13-18)16-7-4-3-5-8-16;1-5(2,3-6)4-7/h3-18H,20H2,1-2H3,(H,33,36);1-16H,(H,29,30);3-13H,15H2,1-2H3,(H,26,29)(H,27,30);3,6H2,1-2H3.

What are the key properties of 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?

3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 1484.74 g/mol, XLogP of 15.05, 18 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2,2-dimethylpropanenitrile;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]-N-(2-cyano-2-methylpropyl)pyridine-2-carboxamide;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;N-(2-cyano-2-methylpropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 158753226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).