N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

C19H15N3OS — CID 11588022

IUPACN-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncccc23)s1
InChIInChI=1S/C19H15N3OS/c23-19(22-11-13-5-2-1-3-6-13)17-9-8-16(24-17)15-12-21-18-14(15)7-4-10-20-18/h1-10,12H,11H2,(H,20,21)(H,22,23)
InChIKeyXQJPLSBHRHATHU-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.22
Rot. Bonds4

About N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 11588022) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
PubChem CID11588022
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncccc23)s1
InChIInChI=1S/C19H15N3OS/c23-19(22-11-13-5-2-1-3-6-13)17-9-8-16(24-17)15-12-21-18-14(15)7-4-10-20-18/h1-10,12H,11H2,(H,20,21)(H,22,23)
InChIKeyXQJPLSBHRHATHU-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide (CID 11588022) is N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide is O=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncccc23)s1.
What is the InChIKey of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is XQJPLSBHRHATHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(22-11-13-5-2-1-3-6-13)17-9-8-16(24-17)15-12-21-18-14(15)7-4-10-20-18/h1-10,12H,11H2,(H,20,21)(H,22,23).
What are the key properties of N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 11588022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).