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

C18H18N4O2 — CID 108801482

IUPACN-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H18N4O2/c1-13(23)19-8-9-20-18(24)15-7-10-22-12-16(21-17(22)11-15)14-5-3-2-4-6-14/h2-7,10-12H,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyQSDGTKITAPDQDS-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.87
Rot. Bonds5

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

N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 108801482) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID108801482
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H18N4O2/c1-13(23)19-8-9-20-18(24)15-7-10-22-12-16(21-17(22)11-15)14-5-3-2-4-6-14/h2-7,10-12H,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyQSDGTKITAPDQDS-UHFFFAOYSA-N
XLogP1.87
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.87
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-(5-hydroxypentyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788521
N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420
2-phenyl-N-(3-propan-2-yloxypropyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 108788516
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788428
N-(5-acetamido-2-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788562
N-[(4-carbamoylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801462
methyl 4-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801388
4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid
CID 108788453
methyl 3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801384
N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788490
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 108810602

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide (CID 108801482) is N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is CC(=O)NCCNC(=O)c1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is QSDGTKITAPDQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(23)19-8-9-20-18(24)15-7-10-22-12-16(21-17(22)11-15)14-5-3-2-4-6-14/h2-7,10-12H,8-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide?
N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 108801482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).