4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile

C11H15N3O — CID 81055827

IUPAC4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
SMILESCCOCCN(C)c1ccnc(C#N)c1
InChIInChI=1S/C11H15N3O/c1-3-15-7-6-14(2)11-4-5-13-10(8-11)9-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyMVMLMUQKJREJHC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.43
Rot. Bonds5

About 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile

4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile (PubChem CID 81055827) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
PubChem CID81055827
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
SMILESCCOCCN(C)c1ccnc(C#N)c1
InChIInChI=1S/C11H15N3O/c1-3-15-7-6-14(2)11-4-5-13-10(8-11)9-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyMVMLMUQKJREJHC-UHFFFAOYSA-N
XLogP1.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
CID 55210694
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
6-[2-ethoxyethyl(methyl)amino]pyridazine-3-carbonitrile
CID 133446107
2-chloro-4-[2-ethoxyethyl(methyl)amino]benzonitrile
CID 81056253
3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62925478
4-(dibutylamino)pyridine-2-carbonitrile
CID 62924779
4-[propan-2-yl(propyl)amino]pyridine-2-carbonitrile
CID 62927034
N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81074807
4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-2-carbonitrile
CID 55156482
4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 62926432
4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 55151643

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile (CID 81055827) is 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile is CCOCCN(C)c1ccnc(C#N)c1.
What is the InChIKey of 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile?
The InChIKey is MVMLMUQKJREJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-15-7-6-14(2)11-4-5-13-10(8-11)9-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile?
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 81055827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).