N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C24H23N3O4S — CID 127248322

IUPACN-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)N2CCC(c3c(C(=O)NCCO)sc4ncccc34)C2)oc2ccccc12
InChIInChI=1S/C24H23N3O4S/c1-14-16-5-2-3-7-18(16)31-20(14)24(30)27-11-8-15(13-27)19-17-6-4-9-26-23(17)32-21(19)22(29)25-10-12-28/h2-7,9,15,28H,8,10-13H2,1H3,(H,25,29)
InChIKeyZWWDCVIHHKFIRC-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.70
Rot. Bonds5

About N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248322) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID127248322
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)N2CCC(c3c(C(=O)NCCO)sc4ncccc34)C2)oc2ccccc12
InChIInChI=1S/C24H23N3O4S/c1-14-16-5-2-3-7-18(16)31-20(14)24(30)27-11-8-15(13-27)19-17-6-4-9-26-23(17)32-21(19)22(29)25-10-12-28/h2-7,9,15,28H,8,10-13H2,1H3,(H,25,29)
InChIKeyZWWDCVIHHKFIRC-UHFFFAOYSA-N
XLogP3.70
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248196
N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248314
3-(1-benzoylpyrrolidin-3-yl)-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248233
N-(2-methoxyethyl)-3-[1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248284
N-(2-hydroxyethyl)-3-[(3S)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812472
N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248424
N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360935
[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110242237
N-(2-hydroxyethyl)-3-[1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110251064
3-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248342
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110259313

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 127248322) is N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)N2CCC(c3c(C(=O)NCCO)sc4ncccc34)C2)oc2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZWWDCVIHHKFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-14-16-5-2-3-7-18(16)31-20(14)24(30)27-11-8-15(13-27)19-17-6-4-9-26-23(17)32-21(19)22(29)25-10-12-28/h2-7,9,15,28H,8,10-13H2,1H3,(H,25,29).
What are the key properties of N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).