3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide

C21H20N4OS — CID 45106605

IUPAC3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccc(-n2cnc3cccnc32)cc1)NCCc1cccs1
InChIInChI=1S/C21H20N4OS/c26-20(22-13-11-18-3-2-14-27-18)10-7-16-5-8-17(9-6-16)25-15-24-19-4-1-12-23-21(19)25/h1-6,8-9,12,14-15H,7,10-11,13H2,(H,22,26)
InChIKeyBNAVEKFETSBBPW-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.77
Rot. Bonds7

About 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide

3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 45106605) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID45106605
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccc(-n2cnc3cccnc32)cc1)NCCc1cccs1
InChIInChI=1S/C21H20N4OS/c26-20(22-13-11-18-3-2-14-27-18)10-7-16-5-8-17(9-6-16)25-15-24-19-4-1-12-23-21(19)25/h1-6,8-9,12,14-15H,7,10-11,13H2,(H,22,26)
InChIKeyBNAVEKFETSBBPW-UHFFFAOYSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide
CID 20916229
N-[(4-ethylphenyl)methyl]-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide
CID 20916234
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110683424
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53185937
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110791377
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 22553572
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide (CID 45106605) is 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1ccc(-n2cnc3cccnc32)cc1)NCCc1cccs1.
What is the InChIKey of 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is BNAVEKFETSBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c26-20(22-13-11-18-3-2-14-27-18)10-7-16-5-8-17(9-6-16)25-15-24-19-4-1-12-23-21(19)25/h1-6,8-9,12,14-15H,7,10-11,13H2,(H,22,26).
What are the key properties of 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 376.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 45106605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).