3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile

C12H16N4O — CID 114097597

IUPAC3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCOCC2CC2)c1N
InChIInChI=1S/C12H16N4O/c13-7-10-3-4-15-12(11(10)14)16-5-6-17-8-9-1-2-9/h3-4,9H,1-2,5-6,8,14H2,(H,15,16)
InChIKeyVJJYTGWOHYOSJD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile

3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile (PubChem CID 114097597) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
PubChem CID114097597
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCOCC2CC2)c1N
InChIInChI=1S/C12H16N4O/c13-7-10-3-4-15-12(11(10)14)16-5-6-17-8-9-1-2-9/h3-4,9H,1-2,5-6,8,14H2,(H,15,16)
InChIKeyVJJYTGWOHYOSJD-UHFFFAOYSA-N
XLogP1.37
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile (CID 114097597) is 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCCOCC2CC2)c1N.
What is the InChIKey of 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
The InChIKey is VJJYTGWOHYOSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-7-10-3-4-15-12(11(10)14)16-5-6-17-8-9-1-2-9/h3-4,9H,1-2,5-6,8,14H2,(H,15,16).
What are the key properties of 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114097597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).