2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide

C26H28N6O2 — CID 23941322

IUPAC2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C(=O)NCCN)ccn3c2Nc2c(C)cccc2C)cc1
InChIInChI=1S/C26H28N6O2/c1-16-5-4-6-17(2)23(16)31-25-24(19-7-9-21(10-8-19)29-18(3)33)30-22-15-20(11-14-32(22)25)26(34)28-13-12-27/h4-11,14-15,31H,12-13,27H2,1-3H3,(H,28,34)(H,29,33)
InChIKeySFNKKEUVHZDKJH-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.01
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide

2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23941322) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23941322
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C(=O)NCCN)ccn3c2Nc2c(C)cccc2C)cc1
InChIInChI=1S/C26H28N6O2/c1-16-5-4-6-17(2)23(16)31-25-24(19-7-9-21(10-8-19)29-18(3)33)30-22-15-20(11-14-32(22)25)26(34)28-13-12-27/h4-11,14-15,31H,12-13,27H2,1-3H3,(H,28,34)(H,29,33)
InChIKeySFNKKEUVHZDKJH-UHFFFAOYSA-N
XLogP4.01
TPSA113.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23827163
N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23821882
N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23736368
N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23793763
2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 42738482
N-[4-[3-(2-aminoethyl)-4,6-dimethyl-2-pyridinyl]phenyl]acetamide
CID 139886434
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
1-(3,4-dimethylphenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694834
1-(4-chlorophenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694832
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
7-methyl-N-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 171983604
N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 23878608

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide (CID 23941322) is 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide is CC(=O)Nc1ccc(-c2nc3cc(C(=O)NCCN)ccn3c2Nc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is SFNKKEUVHZDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-5-4-6-17(2)23(16)31-25-24(19-7-9-21(10-8-19)29-18(3)33)30-22-15-20(11-14-32(22)25)26(34)28-13-12-27/h4-11,14-15,31H,12-13,27H2,1-3H3,(H,28,34)(H,29,33).
What are the key properties of 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide?
2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.01, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23941322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).