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

C15H13Cl3N4O — CID 2091351

IUPAC4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCCc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1
InChIInChI=1S/C15H13Cl3N4O/c1-2-8-3-5-9(6-4-8)7-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h3-7H,2H2,1H3,(H2,19,21)(H,22,23)
InChIKeyXNLUQFXJOVZESB-UHFFFAOYSA-N
MW371.66 g/mol
LogP3.95
Rot. Bonds4

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

4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 2091351) has the molecular formula C15H13Cl3N4O and a molecular weight of 371.66 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID2091351
Molecular FormulaC15H13Cl3N4O
Molecular Weight371.66 g/mol
Exact Mass370.02
IUPAC Name4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCCc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1
InChIInChI=1S/C15H13Cl3N4O/c1-2-8-3-5-9(6-4-8)7-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h3-7H,2H2,1H3,(H2,19,21)(H,22,23)
InChIKeyXNLUQFXJOVZESB-UHFFFAOYSA-N
XLogP3.95
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 53.95
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)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 135719888
4-amino-3,5,6-trichloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6903577
4-amino-3,5,6-trichloro-N-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 2487316
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)-(3-chloro-4-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136781547
4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5012984
4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 4320116
4-amino-3,5,6-trichloro-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 9395129
4-amino-3,5,6-trichloro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]pyridine-2-carboxamide
CID 9214671
4-amino-3,5,6-trichloro-N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]pyridine-2-carboxamide
CID 135558225
2-[2-[[(4-amino-3,5,6-trichloropyridine-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 2693544
4-amino-3,5,6-trichloro-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6881132

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide (CID 2091351) is 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide is CCc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is XNLUQFXJOVZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N4O/c1-2-8-3-5-9(6-4-8)7-20-22-15(23)13-10(16)12(19)11(17)14(18)21-13/h3-7H,2H2,1H3,(H2,19,21)(H,22,23).
What are the key properties of 4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 371.66 g/mol, XLogP of 3.95, 4 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-[(4-ethylphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 2091351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).