6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

C13H18N4O — CID 53369848

IUPAC6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(NCCO)nc(N2CCCC2)c1C#N
InChIInChI=1S/C13H18N4O/c1-10-8-12(15-4-7-18)16-13(11(10)9-14)17-5-2-3-6-17/h8,18H,2-7H2,1H3,(H,15,16)
InChIKeyWDRZIVIBHCFWFP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.27
Rot. Bonds4

About 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 53369848) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID53369848
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(NCCO)nc(N2CCCC2)c1C#N
InChIInChI=1S/C13H18N4O/c1-10-8-12(15-4-7-18)16-13(11(10)9-14)17-5-2-3-6-17/h8,18H,2-7H2,1H3,(H,15,16)
InChIKeyWDRZIVIBHCFWFP-UHFFFAOYSA-N
XLogP1.27
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 53369848) is 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is Cc1cc(NCCO)nc(N2CCCC2)c1C#N.
What is the InChIKey of 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is WDRZIVIBHCFWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-8-12(15-4-7-18)16-13(11(10)9-14)17-5-2-3-6-17/h8,18H,2-7H2,1H3,(H,15,16).
What are the key properties of 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-4-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 53369848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).