1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine

C9H13N3 — CID 919754

IUPAC1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine
SMILESCc1cc(N)c2c(n1)N(C)CC2
InChIInChI=1S/C9H13N3/c1-6-5-8(10)7-3-4-12(2)9(7)11-6/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyUZFDBAZYGWDJRG-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.96
Rot. Bonds

About 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine

1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine (PubChem CID 919754) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine
PubChem CID919754
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine
SMILESCc1cc(N)c2c(n1)N(C)CC2
InChIInChI=1S/C9H13N3/c1-6-5-8(10)7-3-4-12(2)9(7)11-6/h5H,3-4H2,1-2H3,(H2,10,11)
InChIKeyUZFDBAZYGWDJRG-UHFFFAOYSA-N
XLogP0.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine (CID 919754) is 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine is Cc1cc(N)c2c(n1)N(C)CC2.
What is the InChIKey of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is UZFDBAZYGWDJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-5-8(10)7-3-4-12(2)9(7)11-6/h5H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine?
1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 919754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).