N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide

C19H16N4OS — CID 53022323

IUPACN-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc2cccnc2n1Cc1ccccc1)c1cccs1
InChIInChI=1S/C19H16N4OS/c24-19(16-9-5-11-25-16)21-12-17-22-15-8-4-10-20-18(15)23(17)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,24)
InChIKeyZNTSFXAQDBACQA-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.47
Rot. Bonds5

About N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide

N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 53022323) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID53022323
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc2cccnc2n1Cc1ccccc1)c1cccs1
InChIInChI=1S/C19H16N4OS/c24-19(16-9-5-11-25-16)21-12-17-22-15-8-4-10-20-18(15)23(17)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,24)
InChIKeyZNTSFXAQDBACQA-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (CID 53022323) is N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is O=C(NCc1nc2cccnc2n1Cc1ccccc1)c1cccs1.
What is the InChIKey of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZNTSFXAQDBACQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(16-9-5-11-25-16)21-12-17-22-15-8-4-10-20-18(15)23(17)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53022323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).