6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile

C19H18N4O — CID 66999804

IUPAC6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CNCC1c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O/c1-13(24-19-7-4-15(9-21)10-23-19)17-11-22-12-18(17)16-5-2-14(8-20)3-6-16/h2-7,10,13,17-18,22H,11-12H2,1H3
InChIKeyMDDGYURGDRXONF-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.60
Rot. Bonds4

About 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile

6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile (PubChem CID 66999804) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
PubChem CID66999804
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CNCC1c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O/c1-13(24-19-7-4-15(9-21)10-23-19)17-11-22-12-18(17)16-5-2-14(8-20)3-6-16/h2-7,10,13,17-18,22H,11-12H2,1H3
InChIKeyMDDGYURGDRXONF-UHFFFAOYSA-N
XLogP2.60
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile (CID 66999804) is 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile is CC(Oc1ccc(C#N)cn1)C1CNCC1c1ccc(C#N)cc1.
What is the InChIKey of 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The InChIKey is MDDGYURGDRXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13(24-19-7-4-15(9-21)10-23-19)17-11-22-12-18(17)16-5-2-14(8-20)3-6-16/h2-7,10,13,17-18,22H,11-12H2,1H3.
What are the key properties of 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 66999804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).