3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine

C19H22N2O — CID 154881085

IUPAC3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine
SMILESCc1ccc(-c2cccnc2)cc1OCC1CN1CC1CC1
InChIInChI=1S/C19H22N2O/c1-14-4-7-16(17-3-2-8-20-10-17)9-19(14)22-13-18-12-21(18)11-15-5-6-15/h2-4,7-10,15,18H,5-6,11-13H2,1H3
InChIKeyRYDVANJEGYVSHX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.53
Rot. Bonds6

About 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine

3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine (PubChem CID 154881085) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine.

Molecular Properties

Compound Name3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine
PubChem CID154881085
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine
SMILESCc1ccc(-c2cccnc2)cc1OCC1CN1CC1CC1
InChIInChI=1S/C19H22N2O/c1-14-4-7-16(17-3-2-8-20-10-17)9-19(14)22-13-18-12-21(18)11-15-5-6-15/h2-4,7-10,15,18H,5-6,11-13H2,1H3
InChIKeyRYDVANJEGYVSHX-UHFFFAOYSA-N
XLogP3.53
TPSA25.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine 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-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine?
The IUPAC name of 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine (CID 154881085) is 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine.
What is the SMILES notation for 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine?
The canonical SMILES for 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine is Cc1ccc(-c2cccnc2)cc1OCC1CN1CC1CC1.
What is the InChIKey of 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine?
The InChIKey is RYDVANJEGYVSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-4-7-16(17-3-2-8-20-10-17)9-19(14)22-13-18-12-21(18)11-15-5-6-15/h2-4,7-10,15,18H,5-6,11-13H2,1H3.
What are the key properties of 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine?
3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine has a molecular weight of 294.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]-4-methylphenyl]pyridine is sourced from PubChem (CID 154881085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).