2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile

C11H13N3O — CID 114937308

IUPAC2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CC2)cn1
InChIInChI=1S/C11H13N3O/c1-15-11-5-2-8(7-13-11)10(6-12)14-9-3-4-9/h2,5,7,9-10,14H,3-4H2,1H3
InChIKeyJITXPLNMQYVJNI-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.41
Rot. Bonds4

About 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile

2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile (PubChem CID 114937308) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
PubChem CID114937308
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CC2)cn1
InChIInChI=1S/C11H13N3O/c1-15-11-5-2-8(7-13-11)10(6-12)14-9-3-4-9/h2,5,7,9-10,14H,3-4H2,1H3
InChIKeyJITXPLNMQYVJNI-UHFFFAOYSA-N
XLogP1.41
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937375
2-(cyclohexylamino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937363
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937329
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 43753552
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 114937745
N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937000
2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile (CID 114937308) is 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile is COc1ccc(C(C#N)NC2CC2)cn1.
What is the InChIKey of 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
The InChIKey is JITXPLNMQYVJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-11-5-2-8(7-13-11)10(6-12)14-9-3-4-9/h2,5,7,9-10,14H,3-4H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile is sourced from PubChem (CID 114937308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).