4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile

C11H16N4O — CID 142471498

IUPAC4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile
SMILESCOc1ccnc(N)c1.N#CN1CCCC1
InChIInChI=1S/C6H8N2O.C5H8N2/c1-9-5-2-3-8-6(7)4-5;6-5-7-3-1-2-4-7/h2-4H,1H3,(H2,7,8);1-4H2
InChIKeyBBBCKFFAXOVWSI-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.24
Rot. Bonds1

About 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile

4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile (PubChem CID 142471498) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile
PubChem CID142471498
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile
SMILESCOc1ccnc(N)c1.N#CN1CCCC1
InChIInChI=1S/C6H8N2O.C5H8N2/c1-9-5-2-3-8-6(7)4-5;6-5-7-3-1-2-4-7/h2-4H,1H3,(H2,7,8);1-4H2
InChIKeyBBBCKFFAXOVWSI-UHFFFAOYSA-N
XLogP1.24
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile?
The IUPAC name of 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile (CID 142471498) is 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile.
What is the SMILES notation for 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile?
The canonical SMILES for 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile is COc1ccnc(N)c1.N#CN1CCCC1.
What is the InChIKey of 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile?
The InChIKey is BBBCKFFAXOVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C5H8N2/c1-9-5-2-3-8-6(7)4-5;6-5-7-3-1-2-4-7/h2-4H,1H3,(H2,7,8);1-4H2.
What are the key properties of 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile?
4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridin-2-amine;pyrrolidine-1-carbonitrile is sourced from PubChem (CID 142471498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).