5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine

C17H21N5 — CID 25155932

IUPAC5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine
SMILESCN1CC2CN(c3ccc(-c4ccc(N)nc4)cn3)CC2C1
InChIInChI=1S/C17H21N5/c1-21-8-14-10-22(11-15(14)9-21)17-5-3-13(7-20-17)12-2-4-16(18)19-6-12/h2-7,14-15H,8-11H2,1H3,(H2,18,19)
InChIKeyMPXWDKQNKQBIBL-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.72
Rot. Bonds2

About 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine

5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine (PubChem CID 25155932) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine
PubChem CID25155932
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine
SMILESCN1CC2CN(c3ccc(-c4ccc(N)nc4)cn3)CC2C1
InChIInChI=1S/C17H21N5/c1-21-8-14-10-22(11-15(14)9-21)17-5-3-13(7-20-17)12-2-4-16(18)19-6-12/h2-7,14-15H,8-11H2,1H3,(H2,18,19)
InChIKeyMPXWDKQNKQBIBL-UHFFFAOYSA-N
XLogP1.72
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine (CID 25155932) is 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine is CN1CC2CN(c3ccc(-c4ccc(N)nc4)cn3)CC2C1.
What is the InChIKey of 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine?
The InChIKey is MPXWDKQNKQBIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21-8-14-10-22(11-15(14)9-21)17-5-3-13(7-20-17)12-2-4-16(18)19-6-12/h2-7,14-15H,8-11H2,1H3,(H2,18,19).
What are the key properties of 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine?
5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 25155932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).