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

C19H19N3O3S — CID 71009753

IUPAC2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2csc(N)c2C(=O)NCc2ccncc2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-15-4-3-13(9-16(15)25-2)14-11-26-18(20)17(14)19(23)22-10-12-5-7-21-8-6-12/h3-9,11H,10,20H2,1-2H3,(H,22,23)
InChIKeyBMIXSWACCAJICI-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.34
Rot. Bonds6

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

2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 71009753) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
PubChem CID71009753
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
SMILESCOc1ccc(-c2csc(N)c2C(=O)NCc2ccncc2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-15-4-3-13(9-16(15)25-2)14-11-26-18(20)17(14)19(23)22-10-12-5-7-21-8-6-12/h3-9,11H,10,20H2,1-2H3,(H,22,23)
InChIKeyBMIXSWACCAJICI-UHFFFAOYSA-N
XLogP3.34
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide (CID 71009753) is 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is COc1ccc(-c2csc(N)c2C(=O)NCc2ccncc2)cc1OC.
What is the InChIKey of 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is BMIXSWACCAJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-4-3-13(9-16(15)25-2)14-11-26-18(20)17(14)19(23)22-10-12-5-7-21-8-6-12/h3-9,11H,10,20H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide?
2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 71009753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).