N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C20H18N4 — CID 11522531

IUPACN-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)n3)c2c1
InChIInChI=1S/C20H18N4/c1-14-10-16-17(13-23-20(16)22-11-14)18-8-5-9-19(24-18)21-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyDJBVELYKZDUNRL-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.55
Rot. Bonds4

About N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 11522531) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID11522531
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)n3)c2c1
InChIInChI=1S/C20H18N4/c1-14-10-16-17(13-23-20(16)22-11-14)18-8-5-9-19(24-18)21-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyDJBVELYKZDUNRL-UHFFFAOYSA-N
XLogP4.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 11522531) is N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Cc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)n3)c2c1.
What is the InChIKey of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is DJBVELYKZDUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-10-16-17(13-23-20(16)22-11-14)18-8-5-9-19(24-18)21-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 11522531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).