methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate

C20H18N2O2 — CID 24752879

IUPACmethyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate
SMILESCCc1ccc(-c2ccc(C(=O)OC)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H18N2O2/c1-3-14-4-6-15(7-5-14)17-8-9-18(20(23)24-2)22-19(17)16-10-12-21-13-11-16/h4-13H,3H2,1-2H3
InChIKeyYFCNSOYLKZQAHN-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.16
Rot. Bonds4

About methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate

methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate (PubChem CID 24752879) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate
PubChem CID24752879
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namemethyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate
SMILESCCc1ccc(-c2ccc(C(=O)OC)nc2-c2ccncc2)cc1
InChIInChI=1S/C20H18N2O2/c1-3-14-4-6-15(7-5-14)17-8-9-18(20(23)24-2)22-19(17)16-10-12-21-13-11-16/h4-13H,3H2,1-2H3
InChIKeyYFCNSOYLKZQAHN-UHFFFAOYSA-N
XLogP4.16
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate?
The IUPAC name of methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate (CID 24752879) is methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate is CCc1ccc(-c2ccc(C(=O)OC)nc2-c2ccncc2)cc1.
What is the InChIKey of methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate?
The InChIKey is YFCNSOYLKZQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-3-14-4-6-15(7-5-14)17-8-9-18(20(23)24-2)22-19(17)16-10-12-21-13-11-16/h4-13H,3H2,1-2H3.
What are the key properties of methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate?
methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethylphenyl)-6-pyridin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 24752879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).