5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine

C28H30N4 — CID 170154056

IUPAC5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine
SMILESC=C(NC(CC)c1cccc(C)c1)c1ccn(-c2cc(Nc3ccccc3)ncc2C)c1
InChIInChI=1S/C28H30N4/c1-5-26(23-11-9-10-20(2)16-23)30-22(4)24-14-15-32(19-24)27-17-28(29-18-21(27)3)31-25-12-7-6-8-13-25/h6-19,26,30H,4-5H2,1-3H3,(H,29,31)
InChIKeyLLEHBEJBTUSKOH-UHFFFAOYSA-N
MW422.58 g/mol
LogP6.94
Rot. Bonds8

About 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine

5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine (PubChem CID 170154056) has the molecular formula C28H30N4 and a molecular weight of 422.58 g/mol. Its IUPAC name is 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine
PubChem CID170154056
Molecular FormulaC28H30N4
Molecular Weight422.58 g/mol
Exact Mass422.25
IUPAC Name5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine
SMILESC=C(NC(CC)c1cccc(C)c1)c1ccn(-c2cc(Nc3ccccc3)ncc2C)c1
InChIInChI=1S/C28H30N4/c1-5-26(23-11-9-10-20(2)16-23)30-22(4)24-14-15-32(19-24)27-17-28(29-18-21(27)3)31-25-12-7-6-8-13-25/h6-19,26,30H,4-5H2,1-3H3,(H,29,31)
InChIKeyLLEHBEJBTUSKOH-UHFFFAOYSA-N
XLogP6.94
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-methyl-2-N-phenylpyridine-2,5-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine?
The IUPAC name of 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine (CID 170154056) is 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine?
The canonical SMILES for 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine is C=C(NC(CC)c1cccc(C)c1)c1ccn(-c2cc(Nc3ccccc3)ncc2C)c1.
What is the InChIKey of 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine?
The InChIKey is LLEHBEJBTUSKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4/c1-5-26(23-11-9-10-20(2)16-23)30-22(4)24-14-15-32(19-24)27-17-28(29-18-21(27)3)31-25-12-7-6-8-13-25/h6-19,26,30H,4-5H2,1-3H3,(H,29,31).
What are the key properties of 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine?
5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine has a molecular weight of 422.58 g/mol, XLogP of 6.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[3-[1-[1-(3-methylphenyl)propylamino]ethenyl]pyrrol-1-yl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 170154056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).