4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide

C13H7Cl5N4O — CID 2487316

IUPAC4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESNc1c(Cl)c(Cl)nc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H7Cl5N4O/c14-6-2-1-5(3-7(6)15)4-20-22-13(23)11-8(16)10(19)9(17)12(18)21-11/h1-4H,(H2,19,21)(H,22,23)
InChIKeyIMZSDIFWVOYVLA-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.69
Rot. Bonds3

About 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 2487316) has the molecular formula C13H7Cl5N4O and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID2487316
Molecular FormulaC13H7Cl5N4O
Molecular Weight412.49 g/mol
Exact Mass409.91
IUPAC Name4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESNc1c(Cl)c(Cl)nc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H7Cl5N4O/c14-6-2-1-5(3-7(6)15)4-20-22-13(23)11-8(16)10(19)9(17)12(18)21-11/h1-4H,(H2,19,21)(H,22,23)
InChIKeyIMZSDIFWVOYVLA-UHFFFAOYSA-N
XLogP4.69
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136781547
4-amino-3,5,6-trichloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 135719888
4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5012984
4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
CID 2091351
4-amino-3,5,6-trichloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6903577
4-amino-3,5,6-trichloro-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]pyridine-2-carboxamide
CID 110527745
4-amino-3,5,6-trichloro-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6881132
4-amino-3,5,6-trichloro-N-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 3952335
4-amino-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3,5,6-trichloropyridine-2-carboxamide
CID 42995579
4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
CID 9214671
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 9395129

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide (CID 2487316) is 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide is Nc1c(Cl)c(Cl)nc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is IMZSDIFWVOYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl5N4O/c14-6-2-1-5(3-7(6)15)4-20-22-13(23)11-8(16)10(19)9(17)12(18)21-11/h1-4H,(H2,19,21)(H,22,23).
What are the key properties of 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 2487316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).