5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide

C18H17N5O2 — CID 171819982

IUPAC5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCn1cc(C#N)c2c(-c3cccc(O)c3C)c(N)c(C(N)=O)nc21
InChIInChI=1S/C18H17N5O2/c1-3-23-8-10(7-19)13-14(11-5-4-6-12(24)9(11)2)15(20)16(17(21)25)22-18(13)23/h4-6,8,24H,3,20H2,1-2H3,(H2,21,25)
InChIKeySDFPSQWWUIHHOM-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.29
Rot. Bonds3

About 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide

5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 171819982) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID171819982
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCn1cc(C#N)c2c(-c3cccc(O)c3C)c(N)c(C(N)=O)nc21
InChIInChI=1S/C18H17N5O2/c1-3-23-8-10(7-19)13-14(11-5-4-6-12(24)9(11)2)15(20)16(17(21)25)22-18(13)23/h4-6,8,24H,3,20H2,1-2H3,(H2,21,25)
InChIKeySDFPSQWWUIHHOM-UHFFFAOYSA-N
XLogP2.29
TPSA130.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide (CID 171819982) is 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide is CCn1cc(C#N)c2c(-c3cccc(O)c3C)c(N)c(C(N)=O)nc21.
What is the InChIKey of 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is SDFPSQWWUIHHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-3-23-8-10(7-19)13-14(11-5-4-6-12(24)9(11)2)15(20)16(17(21)25)22-18(13)23/h4-6,8,24H,3,20H2,1-2H3,(H2,21,25).
What are the key properties of 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 171819982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).