3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide

C17H18ClN3OS — CID 154733029

IUPAC3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(n1)SC(C(=O)NCc1ccc(Cl)cc1)C2N
InChIInChI=1S/C17H18ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7,14-15H,8,19H2,1-2H3,(H,20,22)
InChIKeyIKKFWVKRPITRNW-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.14
Rot. Bonds3

About 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide (PubChem CID 154733029) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide
PubChem CID154733029
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(n1)SC(C(=O)NCc1ccc(Cl)cc1)C2N
InChIInChI=1S/C17H18ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7,14-15H,8,19H2,1-2H3,(H,20,22)
InChIKeyIKKFWVKRPITRNW-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide (CID 154733029) is 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(n1)SC(C(=O)NCc1ccc(Cl)cc1)C2N.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IKKFWVKRPITRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7,14-15H,8,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 347.87 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 154733029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).