2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile

C13H17N3O — CID 61435511

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCCN(CC1CCCO1)c1cc(C#N)ccn1
InChIInChI=1S/C13H17N3O/c1-2-16(10-12-4-3-7-17-12)13-8-11(9-14)5-6-15-13/h5-6,8,12H,2-4,7,10H2,1H3
InChIKeyUOFJFYFTJMGBMB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds4

About 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile

2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 61435511) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
PubChem CID61435511
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESCCN(CC1CCCO1)c1cc(C#N)ccn1
InChIInChI=1S/C13H17N3O/c1-2-16(10-12-4-3-7-17-12)13-8-11(9-14)5-6-15-13/h5-6,8,12H,2-4,7,10H2,1H3
InChIKeyUOFJFYFTJMGBMB-UHFFFAOYSA-N
XLogP1.96
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798901
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile
CID 133443913
3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435760
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile (CID 61435511) is 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile is CCN(CC1CCCO1)c1cc(C#N)ccn1.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is UOFJFYFTJMGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16(10-12-4-3-7-17-12)13-8-11(9-14)5-6-15-13/h5-6,8,12H,2-4,7,10H2,1H3.
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile?
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 61435511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).