pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

C19H18N2O4S — CID 71614709

IUPACpyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(-c2csc(N)c2C(=O)OCc2ccncc2)cc1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-4-3-13(9-16(15)24-2)14-11-26-18(20)17(14)19(22)25-10-12-5-7-21-8-6-12/h3-9,11H,10,20H2,1-2H3
InChIKeyQGNJUKZQNZTUQL-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.77
Rot. Bonds6

About pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (PubChem CID 71614709) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namepyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
PubChem CID71614709
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namepyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
SMILESCOc1ccc(-c2csc(N)c2C(=O)OCc2ccncc2)cc1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-4-3-13(9-16(15)24-2)14-11-26-18(20)17(14)19(22)25-10-12-5-7-21-8-6-12/h3-9,11H,10,20H2,1-2H3
InChIKeyQGNJUKZQNZTUQL-UHFFFAOYSA-N
XLogP3.77
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CID 71614709) is pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is COc1ccc(-c2csc(N)c2C(=O)OCc2ccncc2)cc1OC.
What is the InChIKey of pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
The InChIKey is QGNJUKZQNZTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-4-3-13(9-16(15)24-2)14-11-26-18(20)17(14)19(22)25-10-12-5-7-21-8-6-12/h3-9,11H,10,20H2,1-2H3.
What are the key properties of pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate?
pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 71614709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).