2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile

C14H22N4O — CID 114937329

IUPAC2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccc(OC)nc1
InChIInChI=1S/C14H22N4O/c1-4-18(5-2)9-8-16-13(10-15)12-6-7-14(19-3)17-11-12/h6-7,11,13,16H,4-5,8-9H2,1-3H3
InChIKeyXDZQFNKXIDMWKB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.59
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile

2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile (PubChem CID 114937329) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
PubChem CID114937329
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCCN(CC)CCNC(C#N)c1ccc(OC)nc1
InChIInChI=1S/C14H22N4O/c1-4-18(5-2)9-8-16-13(10-15)12-6-7-14(19-3)17-11-12/h6-7,11,13,16H,4-5,8-9H2,1-3H3
InChIKeyXDZQFNKXIDMWKB-UHFFFAOYSA-N
XLogP1.59
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937375
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937308
2-[2-(dimethylamino)ethylamino]-2-(4-methoxyphenyl)acetonitrile
CID 54889344
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-[4-(diethylaminomethyl)phenyl]-2-(propylamino)acetonitrile
CID 84816523
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile (CID 114937329) is 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile is CCN(CC)CCNC(C#N)c1ccc(OC)nc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile?
The InChIKey is XDZQFNKXIDMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-18(5-2)9-8-16-13(10-15)12-6-7-14(19-3)17-11-12/h6-7,11,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile?
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile has a molecular weight of 262.36 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile is sourced from PubChem (CID 114937329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).