N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide

C18H17N5O2S — CID 162658675

IUPACN-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1NC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C18H17N5O2S/c1-2-15(24)20-10-12-6-3-4-7-13(12)21-16(25)11-26-18-22-14-8-5-9-19-17(14)23-18/h2-9H,1,10-11H2,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyLGEICHGHNXDEEN-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.49
Rot. Bonds7

About N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide

N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide (PubChem CID 162658675) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide
PubChem CID162658675
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1NC(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C18H17N5O2S/c1-2-15(24)20-10-12-6-3-4-7-13(12)21-16(25)11-26-18-22-14-8-5-9-19-17(14)23-18/h2-9H,1,10-11H2,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyLGEICHGHNXDEEN-UHFFFAOYSA-N
XLogP2.49
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 720190
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 3794006
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 7624317
N-cyclohexyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 2989776
N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 728900
methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenylacetate
CID 7305447
N-[[2-[2-oxo-2-[(2-oxo-1H-quinolin-5-yl)amino]ethyl]phenyl]methyl]prop-2-enamide
CID 166421840
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3830022
2-(fluoromethylsulfanyl)-1H-imidazo[4,5-b]pyridine
CID 141354829
(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92742256
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 53148242

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide (CID 162658675) is N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccccc1NC(=O)CSc1nc2ncccc2[nH]1.
What is the InChIKey of N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide?
The InChIKey is LGEICHGHNXDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-2-15(24)20-10-12-6-3-4-7-13(12)21-16(25)11-26-18-22-14-8-5-9-19-17(14)23-18/h2-9H,1,10-11H2,(H,20,24)(H,21,25)(H,19,22,23).
What are the key properties of N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide?
N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide has a molecular weight of 367.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 162658675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).