N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine

C16H17N3 — CID 146338738

IUPACN-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1cc(NCc2ccccc2)nc2[nH]ccc12
InChIInChI=1S/C16H17N3/c1-2-13-10-15(19-16-14(13)8-9-17-16)18-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyZQSDTNHVKCJSKQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds4

About N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine

N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 146338738) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID146338738
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCCc1cc(NCc2ccccc2)nc2[nH]ccc12
InChIInChI=1S/C16H17N3/c1-2-13-10-15(19-16-14(13)8-9-17-16)18-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyZQSDTNHVKCJSKQ-UHFFFAOYSA-N
XLogP3.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 146338738) is N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine is CCc1cc(NCc2ccccc2)nc2[nH]ccc12.
What is the InChIKey of N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ZQSDTNHVKCJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-13-10-15(19-16-14(13)8-9-17-16)18-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,17,18,19).
What are the key properties of N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 251.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 146338738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).