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

C24H24N6O3 — CID 23827163

IUPACN-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cccc(C)c1Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(C(=O)NCCN)ccn12
InChIInChI=1S/C24H24N6O3/c1-15-4-3-5-16(2)21(15)28-23-22(17-6-8-19(9-7-17)30(32)33)27-20-14-18(10-13-29(20)23)24(31)26-12-11-25/h3-10,13-14,28H,11-12,25H2,1-2H3,(H,26,31)
InChIKeyVOOALAKVSWGNPM-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.96
Rot. Bonds7

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

N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23827163) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23827163
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cccc(C)c1Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(C(=O)NCCN)ccn12
InChIInChI=1S/C24H24N6O3/c1-15-4-3-5-16(2)21(15)28-23-22(17-6-8-19(9-7-17)30(32)33)27-20-14-18(10-13-29(20)23)24(31)26-12-11-25/h3-10,13-14,28H,11-12,25H2,1-2H3,(H,26,31)
InChIKeyVOOALAKVSWGNPM-UHFFFAOYSA-N
XLogP3.96
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23736368
2-(4-acetamidophenyl)-N-(2-aminoethyl)-3-(2,6-dimethylanilino)imidazo[1,2-a]pyridine-7-carboxamide
CID 23941322
N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23821882
N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23793763
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
CID 42694070
4-[3-(2,6-dimethylanilino)-6-nitroimidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
CID 54769178
2-(4-nitrophenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 123510105
N-(2-cyanoethyl)-3-(4-nitrophenyl)benzamide
CID 11822549
2-[[3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-phenylpropanoic acid
CID 23908964
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 23827163) is N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide is Cc1cccc(C)c1Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2cc(C(=O)NCCN)ccn12.
What is the InChIKey of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is VOOALAKVSWGNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15-4-3-5-16(2)21(15)28-23-22(17-6-8-19(9-7-17)30(32)33)27-20-14-18(10-13-29(20)23)24(31)26-12-11-25/h3-10,13-14,28H,11-12,25H2,1-2H3,(H,26,31).
What are the key properties of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23827163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).