N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide

C13H16N4O2 — CID 46684175

IUPACN-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn2ccc(C)cc2n1
InChIInChI=1S/C13H16N4O2/c1-9-3-6-17-8-11(16-12(17)7-9)13(19)15-5-4-14-10(2)18/h3,6-8H,4-5H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyVUPLNIWTIFAYCH-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.51
Rot. Bonds4

About N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide

N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 46684175) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID46684175
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn2ccc(C)cc2n1
InChIInChI=1S/C13H16N4O2/c1-9-3-6-17-8-11(16-12(17)7-9)13(19)15-5-4-14-10(2)18/h3,6-8H,4-5H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyVUPLNIWTIFAYCH-UHFFFAOYSA-N
XLogP0.51
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfonylethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51108649
N-(2-acetamidoethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 77092893
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
7-methyl-N-(2-piperidin-1-ylsulfonylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46971998
N-(3-indol-1-ylpropyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 24512759
7-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46655437
N-[(2S)-butan-2-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 34674868
7-methyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 52530334
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824
N-[(4-hydroxypyrrolidin-3-yl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide;dihydrochloride
CID 120943217
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 175305720
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 94169651

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 46684175) is N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide is CC(=O)NCCNC(=O)c1cn2ccc(C)cc2n1.
What is the InChIKey of N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is VUPLNIWTIFAYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-6-17-8-11(16-12(17)7-9)13(19)15-5-4-14-10(2)18/h3,6-8H,4-5H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 46684175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).