3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide

C19H16N4OS — CID 53148873

IUPAC3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(-c2cccc(C(=O)NCc3cccs3)c2)nc2cccnc21
InChIInChI=1S/C19H16N4OS/c1-23-17(22-16-8-3-9-20-18(16)23)13-5-2-6-14(11-13)19(24)21-12-15-7-4-10-25-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyFFOHCUGRHZEVHJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.63
Rot. Bonds4

About 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide

3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 53148873) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID53148873
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(-c2cccc(C(=O)NCc3cccs3)c2)nc2cccnc21
InChIInChI=1S/C19H16N4OS/c1-23-17(22-16-8-3-9-20-18(16)23)13-5-2-6-14(11-13)19(24)21-12-15-7-4-10-25-15/h2-11H,12H2,1H3,(H,21,24)
InChIKeyFFOHCUGRHZEVHJ-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 20916275
N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53149037
3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 53149051
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53148940
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 134799573
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 53148865
3-methyl-N-[2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111258575
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 53148873) is 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide is Cn1c(-c2cccc(C(=O)NCc3cccs3)c2)nc2cccnc21.
What is the InChIKey of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FFOHCUGRHZEVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23-17(22-16-8-3-9-20-18(16)23)13-5-2-6-14(11-13)19(24)21-12-15-7-4-10-25-15/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide?
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 348.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 53148873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).