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

C14H11Cl3N4O3 — CID 5012984

IUPAC4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1O
InChIInChI=1S/C14H11Cl3N4O3/c1-24-8-3-2-6(4-7(8)22)5-19-21-14(23)12-9(15)11(18)10(16)13(17)20-12/h2-5,22H,1H3,(H2,18,20)(H,21,23)
InChIKeyDTRLXMGOIPEZTO-UHFFFAOYSA-N
MW389.63 g/mol
LogP3.10
Rot. Bonds4

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

4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 5012984) has the molecular formula C14H11Cl3N4O3 and a molecular weight of 389.63 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID5012984
Molecular FormulaC14H11Cl3N4O3
Molecular Weight389.63 g/mol
Exact Mass387.99
IUPAC Name4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1O
InChIInChI=1S/C14H11Cl3N4O3/c1-24-8-3-2-6(4-7(8)22)5-19-21-14(23)12-9(15)11(18)10(16)13(17)20-12/h2-5,22H,1H3,(H2,18,20)(H,21,23)
InChIKeyDTRLXMGOIPEZTO-UHFFFAOYSA-N
XLogP3.10
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 2487316
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-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6881132
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-[[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-2-carboxamide
CID 1417305
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 141236547
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 5012984) is 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide is COc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1O.
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is DTRLXMGOIPEZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N4O3/c1-24-8-3-2-6(4-7(8)22)5-19-21-14(23)12-9(15)11(18)10(16)13(17)20-12/h2-5,22H,1H3,(H2,18,20)(H,21,23).
What are the key properties of 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 389.63 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5012984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).