N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

C19H15ClN2O3S — CID 6482389

IUPACN-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C#CCO)sc21
InChIInChI=1S/C19H15ClN2O3S/c1-22-11-16(18(25)21-10-12-4-6-13(20)7-5-12)17(24)15-9-14(3-2-8-23)26-19(15)22/h4-7,9,11,23H,8,10H2,1H3,(H,21,25)
InChIKeyAQZVARLWSXIONB-UHFFFAOYSA-N
MW386.86 g/mol
LogP2.53
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide (PubChem CID 6482389) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
PubChem CID6482389
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C#CCO)sc21
InChIInChI=1S/C19H15ClN2O3S/c1-22-11-16(18(25)21-10-12-4-6-13(20)7-5-12)17(24)15-9-14(3-2-8-23)26-19(15)22/h4-7,9,11,23H,8,10H2,1H3,(H,21,25)
InChIKeyAQZVARLWSXIONB-UHFFFAOYSA-N
XLogP2.53
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide (CID 6482389) is N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide is Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C#CCO)sc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is AQZVARLWSXIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-22-11-16(18(25)21-10-12-4-6-13(20)7-5-12)17(24)15-9-14(3-2-8-23)26-19(15)22/h4-7,9,11,23H,8,10H2,1H3,(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-hydroxyprop-1-ynyl)-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 6482389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).