3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide

C23H34N4O4 — CID 146753571

IUPAC3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCCCCCCc1nc2cc(/C=C/C(=O)CO)ccn2c1NCCC(=O)NCCOC
InChIInChI=1S/C23H34N4O4/c1-3-4-5-6-7-20-23(25-12-10-22(30)24-13-15-31-2)27-14-11-18(16-21(27)26-20)8-9-19(29)17-28/h8-9,11,14,16,25,28H,3-7,10,12-13,15,17H2,1-2H3,(H,24,30)/b9-8+
InChIKeyRNWHYPNWTKMLSE-CMDGGOBGSA-N
MW430.55 g/mol
LogP2.60
Rot. Bonds15

About 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide

3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 146753571) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID146753571
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCCCCCCc1nc2cc(/C=C/C(=O)CO)ccn2c1NCCC(=O)NCCOC
InChIInChI=1S/C23H34N4O4/c1-3-4-5-6-7-20-23(25-12-10-22(30)24-13-15-31-2)27-14-11-18(16-21(27)26-20)8-9-19(29)17-28/h8-9,11,14,16,25,28H,3-7,10,12-13,15,17H2,1-2H3,(H,24,30)/b9-8+
InChIKeyRNWHYPNWTKMLSE-CMDGGOBGSA-N
XLogP2.60
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 149410441
3-[[2-hexyl-7-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methylsulfanylethyl)propanamide
CID 11950750
N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 73151363
3-[[2-hexyl-7-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-[(1R)-1-hydroxyiodanuidyl-2-methylpropyl]propanamide
CID 146890251
3-[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 11950379
(2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide
CID 59169997
3-(imidazo[1,2-a]pyridin-5-ylamino)-N-(2-methoxyethyl)propanamide
CID 102625776
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044
3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104777242

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide (CID 146753571) is 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide is CCCCCCc1nc2cc(/C=C/C(=O)CO)ccn2c1NCCC(=O)NCCOC.
What is the InChIKey of 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RNWHYPNWTKMLSE-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-3-4-5-6-7-20-23(25-12-10-22(30)24-13-15-31-2)27-14-11-18(16-21(27)26-20)8-9-19(29)17-28/h8-9,11,14,16,25,28H,3-7,10,12-13,15,17H2,1-2H3,(H,24,30)/b9-8+.
What are the key properties of 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide?
3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 430.55 g/mol, XLogP of 2.60, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 146753571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).