3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile

C12H17N3O — CID 82948128

IUPAC3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile
SMILESCOCCN(c1cnccc1C#N)C(C)C
InChIInChI=1S/C12H17N3O/c1-10(2)15(6-7-16-3)12-9-14-5-4-11(12)8-13/h4-5,9-10H,6-7H2,1-3H3
InChIKeyOMLFCOYMDLSWIJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.81
Rot. Bonds5

About 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile

3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile (PubChem CID 82948128) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile
PubChem CID82948128
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile
SMILESCOCCN(c1cnccc1C#N)C(C)C
InChIInChI=1S/C12H17N3O/c1-10(2)15(6-7-16-3)12-9-14-5-4-11(12)8-13/h4-5,9-10H,6-7H2,1-3H3
InChIKeyOMLFCOYMDLSWIJ-UHFFFAOYSA-N
XLogP1.81
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82947935
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
5-(bromomethyl)-2-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 114063624
2-[2-methoxyethyl(propan-2-yl)amino]-5-nitrobenzonitrile
CID 82948697
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82948890
4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 130810747
3-[2-methoxyethyl(pentan-3-yl)amino]pyridazine-4-carbonitrile
CID 80510588
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390
4-acetyl-3-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 113372801

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile (CID 82948128) is 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile is COCCN(c1cnccc1C#N)C(C)C.
What is the InChIKey of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile?
The InChIKey is OMLFCOYMDLSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(2)15(6-7-16-3)12-9-14-5-4-11(12)8-13/h4-5,9-10H,6-7H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile?
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82948128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).