N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

C22H18N2O3S — CID 139653269

IUPACN-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NCc3ccc(O)cc3)sc3ncccc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-17-10-6-15(7-11-17)19-18-3-2-12-23-22(18)28-20(19)21(26)24-13-14-4-8-16(25)9-5-14/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyKPTVXFIPUQMQLB-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.61
Rot. Bonds5

About N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 139653269) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID139653269
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NCc3ccc(O)cc3)sc3ncccc23)cc1
InChIInChI=1S/C22H18N2O3S/c1-27-17-10-6-15(7-11-17)19-18-3-2-12-23-22(18)28-20(19)21(26)24-13-14-4-8-16(25)9-5-14/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyKPTVXFIPUQMQLB-UHFFFAOYSA-N
XLogP4.61
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 69075091
3-[4-(aminomethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651753
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 58026319
ethyl 3-oxo-3-(3-phenylthieno[2,3-b]pyridin-2-yl)propanoate
CID 23585316
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 139653269) is N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2c(C(=O)NCc3ccc(O)cc3)sc3ncccc23)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KPTVXFIPUQMQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-27-17-10-6-15(7-11-17)19-18-3-2-12-23-22(18)28-20(19)21(26)24-13-14-4-8-16(25)9-5-14/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide?
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 139653269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).