N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C18H17N3O2S — CID 166368235

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1cnc2c(c1)CCN2
InChIInChI=1S/C18H17N3O2S/c22-15(14-10-24-16-4-2-1-3-13(14)16)9-21-18(23)12-7-11-5-6-19-17(11)20-8-12/h1-4,7-8,10,15,22H,5-6,9H2,(H,19,20)(H,21,23)
InChIKeyAEKPQZZBBVKMFF-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 166368235) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID166368235
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1cnc2c(c1)CCN2
InChIInChI=1S/C18H17N3O2S/c22-15(14-10-24-16-4-2-1-3-13(14)16)9-21-18(23)12-7-11-5-6-19-17(11)20-8-12/h1-4,7-8,10,15,22H,5-6,9H2,(H,19,20)(H,21,23)
InChIKeyAEKPQZZBBVKMFF-UHFFFAOYSA-N
XLogP2.73
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide
CID 146093968
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide
CID 121179381
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121179463
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
CID 91630827
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 100724754
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-methyl-3-nitrobenzamide
CID 121179411
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 100725217

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 166368235) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(NCC(O)c1csc2ccccc12)c1cnc2c(c1)CCN2.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is AEKPQZZBBVKMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-15(14-10-24-16-4-2-1-3-13(14)16)9-21-18(23)12-7-11-5-6-19-17(11)20-8-12/h1-4,7-8,10,15,22H,5-6,9H2,(H,19,20)(H,21,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 166368235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).