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

C15H16N4OS — CID 53143729

IUPAC5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2nc3cccnc3n2C)s1
InChIInChI=1S/C15H16N4OS/c1-10-5-6-12(21-10)15(20)17-9-7-13-18-11-4-3-8-16-14(11)19(13)2/h3-6,8H,7,9H2,1-2H3,(H,17,20)
InChIKeyKNYAAFWRZKZKCR-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.31
Rot. Bonds4

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

5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 53143729) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID53143729
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2nc3cccnc3n2C)s1
InChIInChI=1S/C15H16N4OS/c1-10-5-6-12(21-10)15(20)17-9-7-13-18-11-4-3-8-16-14(11)19(13)2/h3-6,8H,7,9H2,1-2H3,(H,17,20)
InChIKeyKNYAAFWRZKZKCR-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide (CID 53143729) is 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCCc2nc3cccnc3n2C)s1.
What is the InChIKey of 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KNYAAFWRZKZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-5-6-12(21-10)15(20)17-9-7-13-18-11-4-3-8-16-14(11)19(13)2/h3-6,8H,7,9H2,1-2H3,(H,17,20).
What are the key properties of 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 53143729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).