N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C13H12N4 — CID 58087381

IUPACN-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cncc(CNc2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C13H12N4/c1-2-10(8-14-6-1)9-16-12-4-3-11-5-7-15-13(11)17-12/h1-8H,9H2,(H2,15,16,17)
InChIKeyZCXUKEUULFGZIV-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.57
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 58087381) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID58087381
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cncc(CNc2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C13H12N4/c1-2-10(8-14-6-1)9-16-12-4-3-11-5-7-15-13(11)17-12/h1-8H,9H2,(H2,15,16,17)
InChIKeyZCXUKEUULFGZIV-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 58087381) is N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is c1cncc(CNc2ccc3cc[nH]c3n2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ZCXUKEUULFGZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-10(8-14-6-1)9-16-12-4-3-11-5-7-15-13(11)17-12/h1-8H,9H2,(H2,15,16,17).
What are the key properties of N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 224.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 58087381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).