3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide

C19H20BrN3OS — CID 14510427

IUPAC3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(C)cc(-c3ccc(Br)cc3)c2c1N
InChIInChI=1S/C19H20BrN3OS/c1-4-23(5-2)19(24)17-16(21)15-14(10-11(3)22-18(15)25-17)12-6-8-13(20)9-7-12/h6-10H,4-5,21H2,1-3H3
InChIKeyKPTTZRYTUMEYLE-UHFFFAOYSA-N
MW418.36 g/mol
LogP5.10
Rot. Bonds4

About 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 14510427) has the molecular formula C19H20BrN3OS and a molecular weight of 418.36 g/mol. Its IUPAC name is 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID14510427
Molecular FormulaC19H20BrN3OS
Molecular Weight418.36 g/mol
Exact Mass417.05
IUPAC Name3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(C)cc(-c3ccc(Br)cc3)c2c1N
InChIInChI=1S/C19H20BrN3OS/c1-4-23(5-2)19(24)17-16(21)15-14(10-11(3)22-18(15)25-17)12-6-8-13(20)9-7-12/h6-10H,4-5,21H2,1-3H3
InChIKeyKPTTZRYTUMEYLE-UHFFFAOYSA-N
XLogP5.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 14510427) is 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCN(CC)C(=O)c1sc2nc(C)cc(-c3ccc(Br)cc3)c2c1N.
What is the InChIKey of 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KPTTZRYTUMEYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3OS/c1-4-23(5-2)19(24)17-16(21)15-14(10-11(3)22-18(15)25-17)12-6-8-13(20)9-7-12/h6-10H,4-5,21H2,1-3H3.
What are the key properties of 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 418.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 14510427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).