2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine

C19H17N3 — CID 123670830

IUPAC2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine
SMILES[H]/N=C/C(=C)C1C=CC(c2cccnc2-c2cccc(C)c2)=N1
InChIInChI=1S/C19H17N3/c1-13-5-3-6-15(11-13)19-16(7-4-10-21-19)18-9-8-17(22-18)14(2)12-20/h3-12,17,20H,2H2,1H3/b20-12+
InChIKeyDVJSFGWRLFRZKM-UDWIEESQSA-N
MW287.37 g/mol
LogP3.99
Rot. Bonds4

About 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine

2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine (PubChem CID 123670830) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine
PubChem CID123670830
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine
SMILES[H]/N=C/C(=C)C1C=CC(c2cccnc2-c2cccc(C)c2)=N1
InChIInChI=1S/C19H17N3/c1-13-5-3-6-15(11-13)19-16(7-4-10-21-19)18-9-8-17(22-18)14(2)12-20/h3-12,17,20H,2H2,1H3/b20-12+
InChIKeyDVJSFGWRLFRZKM-UDWIEESQSA-N
XLogP3.99
TPSA49.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine
CID 142927326
6-[2-(3-methylphenyl)-3-pyridinyl]-1H-benzimidazole
CID 90095154
[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
2-(difluoromethyl)-3-(3-methylphenyl)pyridine
CID 178100787
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
1,3-diethyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-2-one
CID 23647076
5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
CID 123941283
1-methyl-3-(2-prop-1-en-2-ylphenyl)benzene
CID 145437903
2-(3-methylphenyl)phenol
CID 11206198
3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 57112868
1-(3-methylphenyl)-7,8-dihydroisoquinoline
CID 71147862

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine?
The IUPAC name of 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine (CID 123670830) is 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine.
What is the SMILES notation for 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine?
The canonical SMILES for 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine is [H]/N=C/C(=C)C1C=CC(c2cccnc2-c2cccc(C)c2)=N1.
What is the InChIKey of 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine?
The InChIKey is DVJSFGWRLFRZKM-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3/c1-13-5-3-6-15(11-13)19-16(7-4-10-21-19)18-9-8-17(22-18)14(2)12-20/h3-12,17,20H,2H2,1H3/b20-12+.
What are the key properties of 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine?
2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine has a molecular weight of 287.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-methylphenyl)-3-pyridinyl]-2H-pyrrol-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 123670830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).