4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one

C26H26N4O — CID 154977436

IUPAC4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one
SMILESC=C(Nc1ccccc1)C1=C(NCc2ccncc2)CN(Cc2ccccc2)CC1=O
InChIInChI=1S/C26H26N4O/c1-20(29-23-10-6-3-7-11-23)26-24(28-16-21-12-14-27-15-13-21)18-30(19-25(26)31)17-22-8-4-2-5-9-22/h2-15,28-29H,1,16-19H2
InChIKeyQOVBNJMEJRBDRA-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.14
Rot. Bonds8

About 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one

4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one (PubChem CID 154977436) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one
PubChem CID154977436
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one
SMILESC=C(Nc1ccccc1)C1=C(NCc2ccncc2)CN(Cc2ccccc2)CC1=O
InChIInChI=1S/C26H26N4O/c1-20(29-23-10-6-3-7-11-23)26-24(28-16-21-12-14-27-15-13-21)18-30(19-25(26)31)17-22-8-4-2-5-9-22/h2-15,28-29H,1,16-19H2
InChIKeyQOVBNJMEJRBDRA-UHFFFAOYSA-N
XLogP4.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one?
The IUPAC name of 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one (CID 154977436) is 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one.
What is the SMILES notation for 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one?
The canonical SMILES for 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one is C=C(Nc1ccccc1)C1=C(NCc2ccncc2)CN(Cc2ccccc2)CC1=O.
What is the InChIKey of 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one?
The InChIKey is QOVBNJMEJRBDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-20(29-23-10-6-3-7-11-23)26-24(28-16-21-12-14-27-15-13-21)18-30(19-25(26)31)17-22-8-4-2-5-9-22/h2-15,28-29H,1,16-19H2.
What are the key properties of 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one?
4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one has a molecular weight of 410.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-anilinoethenyl)-1-benzyl-5-(pyridin-4-ylmethylamino)-2,6-dihydropyridin-3-one is sourced from PubChem (CID 154977436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).