2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C20H20N4O2 — CID 20784517

IUPAC2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)c(-c1cc3c(C(=O)N(C)C)ccnc3[nH]1)cn2C
InChIInChI=1S/C20H20N4O2/c1-23(2)20(25)13-7-8-21-19-15(13)10-17(22-19)16-11-24(3)18-6-5-12(26-4)9-14(16)18/h5-11H,1-4H3,(H,21,22)
InChIKeyBGLVWYSVNHMBAS-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.43
Rot. Bonds3

About 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 20784517) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID20784517
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)c(-c1cc3c(C(=O)N(C)C)ccnc3[nH]1)cn2C
InChIInChI=1S/C20H20N4O2/c1-23(2)20(25)13-7-8-21-19-15(13)10-17(22-19)16-11-24(3)18-6-5-12(26-4)9-14(16)18/h5-11H,1-4H3,(H,21,22)
InChIKeyBGLVWYSVNHMBAS-UHFFFAOYSA-N
XLogP3.43
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 20784517) is 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is COc1ccc2c(c1)c(-c1cc3c(C(=O)N(C)C)ccnc3[nH]1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is BGLVWYSVNHMBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23(2)20(25)13-7-8-21-19-15(13)10-17(22-19)16-11-24(3)18-6-5-12(26-4)9-14(16)18/h5-11H,1-4H3,(H,21,22).
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 20784517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).