4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C19H20N6O2 — CID 144881731

IUPAC4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N
InChIInChI=1S/C19H20N6O2/c1-19(2,27)4-5-22-18(26)14-11-23-16(8-15(14)21)25-6-3-13-7-12(9-20)10-24-17(13)25/h3,6-8,10-11,27H,4-5H2,1-2H3,(H2,21,23)(H,22,26)
InChIKeyFTJIIEVXYOZFET-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.77
Rot. Bonds5

About 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 144881731) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID144881731
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N
InChIInChI=1S/C19H20N6O2/c1-19(2,27)4-5-22-18(26)14-11-23-16(8-15(14)21)25-6-3-13-7-12(9-20)10-24-17(13)25/h3,6-8,10-11,27H,4-5H2,1-2H3,(H2,21,23)(H,22,26)
InChIKeyFTJIIEVXYOZFET-UHFFFAOYSA-N
XLogP1.77
TPSA129.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 144881731) is 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)CCNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N.
What is the InChIKey of 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is FTJIIEVXYOZFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-19(2,27)4-5-22-18(26)14-11-23-16(8-15(14)21)25-6-3-13-7-12(9-20)10-24-17(13)25/h3,6-8,10-11,27H,4-5H2,1-2H3,(H2,21,23)(H,22,26).
What are the key properties of 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 144881731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).