methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate

C19H18N2O2S — CID 58657229

IUPACmethyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NCCc3ccccc3)cn2)s1
InChIInChI=1S/C19H18N2O2S/c1-23-19(22)18-10-9-17(24-18)16-8-7-15(13-21-16)20-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3
InChIKeyBQZNGMFIQMVWTG-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.25
Rot. Bonds6

About methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate

methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 58657229) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate
PubChem CID58657229
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Namemethyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NCCc3ccccc3)cn2)s1
InChIInChI=1S/C19H18N2O2S/c1-23-19(22)18-10-9-17(24-18)16-8-7-15(13-21-16)20-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3
InChIKeyBQZNGMFIQMVWTG-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate (CID 58657229) is methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc(NCCc3ccccc3)cn2)s1.
What is the InChIKey of methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is BQZNGMFIQMVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-19(22)18-10-9-17(24-18)16-8-7-15(13-21-16)20-12-11-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3.
What are the key properties of methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate?
methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(2-phenylethylamino)-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 58657229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).