(3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H20N2O3 — CID 71979505

IUPAC(3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCOc1cccnc1C(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H20N2O3/c1-2-24-17-4-3-11-20-18(17)19(23)21-12-9-15(10-13-21)14-5-7-16(22)8-6-14/h3-9,11,22H,2,10,12-13H2,1H3
InChIKeyIOGHABNURYEZDL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.12
Rot. Bonds4

About (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 71979505) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID71979505
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCOc1cccnc1C(=O)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H20N2O3/c1-2-24-17-4-3-11-20-18(17)19(23)21-12-9-15(10-13-21)14-5-7-16(22)8-6-14/h3-9,11,22H,2,10,12-13H2,1H3
InChIKeyIOGHABNURYEZDL-UHFFFAOYSA-N
XLogP3.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 71979505) is (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCOc1cccnc1C(=O)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is IOGHABNURYEZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-24-17-4-3-11-20-18(17)19(23)21-12-9-15(10-13-21)14-5-7-16(22)8-6-14/h3-9,11,22H,2,10,12-13H2,1H3.
What are the key properties of (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-pyridinyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 71979505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).