(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C25H26N2O2 — CID 112802805

IUPAC(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C25H26N2O2/c1-18-16-24(19(2)27(18)17-20-6-4-3-5-7-20)25(29)26-14-12-22(13-15-26)21-8-10-23(28)11-9-21/h3-12,16,28H,13-15,17H2,1-2H3
InChIKeyOWENPYSFKZRFEY-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.79
Rot. Bonds4

About (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 112802805) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID112802805
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C25H26N2O2/c1-18-16-24(19(2)27(18)17-20-6-4-3-5-7-20)25(29)26-14-12-22(13-15-26)21-8-10-23(28)11-9-21/h3-12,16,28H,13-15,17H2,1-2H3
InChIKeyOWENPYSFKZRFEY-UHFFFAOYSA-N
XLogP4.79
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 112802805) is (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)n1Cc1ccccc1.
What is the InChIKey of (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is OWENPYSFKZRFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-16-24(19(2)27(18)17-20-6-4-3-5-7-20)25(29)26-14-12-22(13-15-26)21-8-10-23(28)11-9-21/h3-12,16,28H,13-15,17H2,1-2H3.
What are the key properties of (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2,5-dimethylpyrrol-3-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 112802805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).