5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile

C13H18N4O — CID 61100632

IUPAC5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile
SMILESCN1CCCC1CCOc1ncc(N)cc1C#N
InChIInChI=1S/C13H18N4O/c1-17-5-2-3-12(17)4-6-18-13-10(8-14)7-11(15)9-16-13/h7,9,12H,2-6,15H2,1H3
InChIKeyFHECHIAKLVFQSB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.40
Rot. Bonds4

About 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile

5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile (PubChem CID 61100632) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile
PubChem CID61100632
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile
SMILESCN1CCCC1CCOc1ncc(N)cc1C#N
InChIInChI=1S/C13H18N4O/c1-17-5-2-3-12(17)4-6-18-13-10(8-14)7-11(15)9-16-13/h7,9,12H,2-6,15H2,1H3
InChIKeyFHECHIAKLVFQSB-UHFFFAOYSA-N
XLogP1.40
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile (CID 61100632) is 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile is CN1CCCC1CCOc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile?
The InChIKey is FHECHIAKLVFQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-5-2-3-12(17)4-6-18-13-10(8-14)7-11(15)9-16-13/h7,9,12H,2-6,15H2,1H3.
What are the key properties of 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile?
5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 61100632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).