N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C24H24N4OS — CID 22577904

IUPACN-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1
InChIInChI=1S/C24H24N4OS/c29-23(26-19-10-15-27(16-11-19)17-18-7-2-1-3-8-18)22-21(28-13-4-5-14-28)20-9-6-12-25-24(20)30-22/h1-9,12-14,19H,10-11,15-17H2,(H,26,29)
InChIKeyXQRHLTBMTVXMBD-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.48
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 22577904) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID22577904
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1
InChIInChI=1S/C24H24N4OS/c29-23(26-19-10-15-27(16-11-19)17-18-7-2-1-3-8-18)22-21(28-13-4-5-14-28)20-9-6-12-25-24(20)30-22/h1-9,12-14,19H,10-11,15-17H2,(H,26,29)
InChIKeyXQRHLTBMTVXMBD-UHFFFAOYSA-N
XLogP4.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
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N-[3-(4-propylpiperazin-1-yl)propyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 46353222
N-(2-methoxyethyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
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3-benzyl-N-(1-benzylpiperidin-4-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496579
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
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N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
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CID 39084162
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
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N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 22577904) is N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XQRHLTBMTVXMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-23(26-19-10-15-27(16-11-19)17-18-7-2-1-3-8-18)22-21(28-13-4-5-14-28)20-9-6-12-25-24(20)30-22/h1-9,12-14,19H,10-11,15-17H2,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 22577904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).