N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine

C10H14N4 — CID 84662769

IUPACN'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ccnc2[nH]ccc12
InChIInChI=1S/C10H14N4/c1-14(7-4-11)9-3-6-13-10-8(9)2-5-12-10/h2-3,5-6H,4,7,11H2,1H3,(H,12,13)
InChIKeyNJRFWUDLMWQEBI-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds3

About N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine

N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine (PubChem CID 84662769) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
PubChem CID84662769
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ccnc2[nH]ccc12
InChIInChI=1S/C10H14N4/c1-14(7-4-11)9-3-6-13-10-8(9)2-5-12-10/h2-3,5-6H,4,7,11H2,1H3,(H,12,13)
InChIKeyNJRFWUDLMWQEBI-UHFFFAOYSA-N
XLogP0.96
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine (CID 84662769) is N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine is CN(CCN)c1ccnc2[nH]ccc12.
What is the InChIKey of N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
The InChIKey is NJRFWUDLMWQEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-14(7-4-11)9-3-6-13-10-8(9)2-5-12-10/h2-3,5-6H,4,7,11H2,1H3,(H,12,13).
What are the key properties of N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine?
N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 84662769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).