N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide

C16H13N3OS — CID 172991062

IUPACN-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNC2)c1cc2ncccc2s1
InChIInChI=1S/C16H13N3OS/c20-16(15-7-13-14(21-15)2-1-5-18-13)19-12-4-3-10-8-17-9-11(10)6-12/h1-7,17H,8-9H2,(H,19,20)
InChIKeyYHOOYPROOXBLEU-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.15
Rot. Bonds2

About N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide

N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 172991062) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID172991062
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNC2)c1cc2ncccc2s1
InChIInChI=1S/C16H13N3OS/c20-16(15-7-13-14(21-15)2-1-5-18-13)19-12-4-3-10-8-17-9-11(10)6-12/h1-7,17H,8-9H2,(H,19,20)
InChIKeyYHOOYPROOXBLEU-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976
4-[(4-Phenylphenyl)amino]thieno[2,3-c]pyridine-2-carboxamide
CID 25218748
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
N-[2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 17453466
N-(1H-indol-5-yl)-2-thiophenecarboxamide
CID 2814135
N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide
CID 11186460
3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 53320305
(E)-1-(3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridin-2-yl)butan-1-one
CID 53325830
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 59761454
N-(4-(phenylsulfonyl)benzyl)thieno[3,2-b]pyridine-2-carboxamide
CID 71818301

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide (CID 172991062) is N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)CNC2)c1cc2ncccc2s1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is YHOOYPROOXBLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16(15-7-13-14(21-15)2-1-5-18-13)19-12-4-3-10-8-17-9-11(10)6-12/h1-7,17H,8-9H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-yl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 172991062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).