6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide

C26H27N5O2 — CID 155560527

IUPAC6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCC(=O)NCCNCc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)c2nccn2c1
InChIInChI=1S/C26H27N5O2/c1-18-22(21-7-4-3-5-8-21)9-6-10-24(18)30-26(33)23-15-20(16-27-11-12-28-19(2)32)17-31-14-13-29-25(23)31/h3-10,13-15,17,27H,11-12,16H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyRSEWLPAMDKZWLB-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.79
Rot. Bonds8

About 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide

6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 155560527) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID155560527
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
SMILESCC(=O)NCCNCc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)c2nccn2c1
InChIInChI=1S/C26H27N5O2/c1-18-22(21-7-4-3-5-8-21)9-6-10-24(18)30-26(33)23-15-20(16-27-11-12-28-19(2)32)17-31-14-13-29-25(23)31/h3-10,13-15,17,27H,11-12,16H2,1-2H3,(H,28,32)(H,30,33)
InChIKeyRSEWLPAMDKZWLB-UHFFFAOYSA-N
XLogP3.79
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-hydroxy-2-[[8-[(2-methyl-3-phenylphenyl)carbamoyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propanoic acid
CID 155542408
3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240355
2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
CID 146339448
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-chloro-3-pyridin-4-ylbenzamide
CID 166632955
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[2-methyl-3-[8-[3-(methylamino)propylcarbamoylamino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide
CID 143819875
5-[(2-hydroxyethylamino)methyl]-N-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;hydrochloride
CID 139537263
N-[6-(2-chlorophenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
CID 23593569
N-(2-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704434
4-(cyclopropylmethoxy)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240421

Frequently Asked Questions

What is the IUPAC name of 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide (CID 155560527) is 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide is CC(=O)NCCNCc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)c2nccn2c1.
What is the InChIKey of 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is RSEWLPAMDKZWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-22(21-7-4-3-5-8-21)9-6-10-24(18)30-26(33)23-15-20(16-27-11-12-28-19(2)32)17-31-14-13-29-25(23)31/h3-10,13-15,17,27H,11-12,16H2,1-2H3,(H,28,32)(H,30,33).
What are the key properties of 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide?
6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 155560527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).