4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide

C15H13Cl3N4O2 — CID 9214603

IUPAC4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccccc1/C(C)=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H13Cl3N4O2/c1-7(8-5-3-4-6-9(8)24-2)21-22-15(23)13-10(16)12(19)11(17)14(18)20-13/h3-6H,1-2H3,(H2,19,20)(H,22,23)/b21-7-
InChIKeyLQXULJXJPGVZAO-YXSASFKJSA-N
MW387.65 g/mol
LogP3.79
Rot. Bonds4

About 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 9214603) has the molecular formula C15H13Cl3N4O2 and a molecular weight of 387.65 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID9214603
Molecular FormulaC15H13Cl3N4O2
Molecular Weight387.65 g/mol
Exact Mass386.01
IUPAC Name4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccccc1/C(C)=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H13Cl3N4O2/c1-7(8-5-3-4-6-9(8)24-2)21-22-15(23)13-10(16)12(19)11(17)14(18)20-13/h3-6H,1-2H3,(H2,19,20)(H,22,23)/b21-7-
InChIKeyLQXULJXJPGVZAO-YXSASFKJSA-N
XLogP3.79
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 9214514
4-amino-3,5,6-trichloro-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]pyridin-1-ium-2-carboxamide
CID 135830115
4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide
CID 9214641
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5012984
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
4-amino-3,5,6-trichloro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5098964
N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351436
4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
CID 9214671
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethylideneamino]triazole-4-carboxamide
CID 3528458
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide (CID 9214603) is 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide is COc1ccccc1/C(C)=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is LQXULJXJPGVZAO-YXSASFKJSA-N. The full InChI is InChI=1S/C15H13Cl3N4O2/c1-7(8-5-3-4-6-9(8)24-2)21-22-15(23)13-10(16)12(19)11(17)14(18)20-13/h3-6H,1-2H3,(H2,19,20)(H,22,23)/b21-7-.
What are the key properties of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 387.65 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9214603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).