5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

C23H24N6O5 — CID 177497569

IUPAC5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)C2=C(N)N3CCNC3=C([N+](=O)[O-])C2c2cccc(OC)c2)c1
InChIInChI=1S/C23H24N6O5/c1-33-16-7-3-5-14(11-16)13-26-27-23(30)19-18(15-6-4-8-17(12-15)34-2)20(29(31)32)22-25-9-10-28(22)21(19)24/h3-8,11-13,18,25H,9-10,24H2,1-2H3,(H,27,30)/b26-13+
InChIKeyOTENPTSRURRXEK-LGJNPRDNSA-N
MW464.48 g/mol
LogP1.47
Rot. Bonds7

About 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 177497569) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID177497569
Molecular FormulaC23H24N6O5
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)C2=C(N)N3CCNC3=C([N+](=O)[O-])C2c2cccc(OC)c2)c1
InChIInChI=1S/C23H24N6O5/c1-33-16-7-3-5-14(11-16)13-26-27-23(30)19-18(15-6-4-8-17(12-15)34-2)20(29(31)32)22-25-9-10-28(22)21(19)24/h3-8,11-13,18,25H,9-10,24H2,1-2H3,(H,27,30)/b26-13+
InChIKeyOTENPTSRURRXEK-LGJNPRDNSA-N
XLogP1.47
TPSA144.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
N-[(3-methoxyphenyl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide
CID 910159
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6082995
N-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496222
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 12005134
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (CID 177497569) is 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is COc1cccc(/C=N/NC(=O)C2=C(N)N3CCNC3=C([N+](=O)[O-])C2c2cccc(OC)c2)c1.
What is the InChIKey of 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is OTENPTSRURRXEK-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H24N6O5/c1-33-16-7-3-5-14(11-16)13-26-27-23(30)19-18(15-6-4-8-17(12-15)34-2)20(29(31)32)22-25-9-10-28(22)21(19)24/h3-8,11-13,18,25H,9-10,24H2,1-2H3,(H,27,30)/b26-13+.
What are the key properties of 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]-8-nitro-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 177497569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).