3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine

C12H16N4 — CID 84681994

IUPAC3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine
SMILESCn1cc(CN)c2c(NC3CC3)ccnc21
InChIInChI=1S/C12H16N4/c1-16-7-8(6-13)11-10(15-9-2-3-9)4-5-14-12(11)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyYBXCFLLWPISYTC-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.61
Rot. Bonds3

About 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine

3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 84681994) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID84681994
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine
SMILESCn1cc(CN)c2c(NC3CC3)ccnc21
InChIInChI=1S/C12H16N4/c1-16-7-8(6-13)11-10(15-9-2-3-9)4-5-14-12(11)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyYBXCFLLWPISYTC-UHFFFAOYSA-N
XLogP1.61
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine (CID 84681994) is 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine is Cn1cc(CN)c2c(NC3CC3)ccnc21.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is YBXCFLLWPISYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-7-8(6-13)11-10(15-9-2-3-9)4-5-14-12(11)16/h4-5,7,9H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine?
3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 84681994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).