2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine

C17H22N4 — CID 131097771

IUPAC2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine
SMILESCC1CC(Nc2ncccc2N)CN1Cc1ccccc1
InChIInChI=1S/C17H22N4/c1-13-10-15(20-17-16(18)8-5-9-19-17)12-21(13)11-14-6-3-2-4-7-14/h2-9,13,15H,10-12,18H2,1H3,(H,19,20)
InChIKeyBAGZBXCIZXJIJB-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.74
Rot. Bonds4

About 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine

2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine (PubChem CID 131097771) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine
PubChem CID131097771
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine
SMILESCC1CC(Nc2ncccc2N)CN1Cc1ccccc1
InChIInChI=1S/C17H22N4/c1-13-10-15(20-17-16(18)8-5-9-19-17)12-21(13)11-14-6-3-2-4-7-14/h2-9,13,15H,10-12,18H2,1H3,(H,19,20)
InChIKeyBAGZBXCIZXJIJB-UHFFFAOYSA-N
XLogP2.74
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine?
The IUPAC name of 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine (CID 131097771) is 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine is CC1CC(Nc2ncccc2N)CN1Cc1ccccc1.
What is the InChIKey of 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine?
The InChIKey is BAGZBXCIZXJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-10-15(20-17-16(18)8-5-9-19-17)12-21(13)11-14-6-3-2-4-7-14/h2-9,13,15H,10-12,18H2,1H3,(H,19,20).
What are the key properties of 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine?
2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine is sourced from PubChem (CID 131097771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).