methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate

C19H18N2O3 — CID 58055614

IUPACmethyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C(c1ccnc(NC(C)=O)c1)CC2
InChIInChI=1S/C19H18N2O3/c1-12(22)21-18-11-15(7-8-20-18)14-5-3-13-4-6-16(19(23)24-2)10-17(13)9-14/h4,6-11H,3,5H2,1-2H3,(H,20,21,22)
InChIKeyDXYLMIZRVAQUCO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.31
Rot. Bonds3

About methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate

methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58055614) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58055614
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C(c1ccnc(NC(C)=O)c1)CC2
InChIInChI=1S/C19H18N2O3/c1-12(22)21-18-11-15(7-8-20-18)14-5-3-13-4-6-16(19(23)24-2)10-17(13)9-14/h4,6-11H,3,5H2,1-2H3,(H,20,21,22)
InChIKeyDXYLMIZRVAQUCO-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate (CID 58055614) is methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C=C(c1ccnc(NC(C)=O)c1)CC2.
What is the InChIKey of methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is DXYLMIZRVAQUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(22)21-18-11-15(7-8-20-18)14-5-3-13-4-6-16(19(23)24-2)10-17(13)9-14/h4,6-11H,3,5H2,1-2H3,(H,20,21,22).
What are the key properties of methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58055614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).