N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C15H14N4O5 — CID 3616787

IUPACN-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(C=NNC(=O)c2ccc(C)nc2)c1O
InChIInChI=1S/C15H14N4O5/c1-9-3-4-10(7-16-9)15(21)18-17-8-11-5-12(19(22)23)6-13(24-2)14(11)20/h3-8,20H,1-2H3,(H,18,21)
InChIKeyVDATZBGSCQQICH-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.78
Rot. Bonds5

About N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 3616787) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID3616787
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC NameN-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(C=NNC(=O)c2ccc(C)nc2)c1O
InChIInChI=1S/C15H14N4O5/c1-9-3-4-10(7-16-9)15(21)18-17-8-11-5-12(19(22)23)6-13(24-2)14(11)20/h3-8,20H,1-2H3,(H,18,21)
InChIKeyVDATZBGSCQQICH-UHFFFAOYSA-N
XLogP1.78
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3274158
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643439
N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818924
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578986
2-chloro-N-[4-[[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3923185
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136733452
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334500
2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 136926351
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-(2-methyl-5-phenylpyrrol-1-yl)benzamide
CID 137173958
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 3616787) is N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2ccc(C)nc2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is VDATZBGSCQQICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-9-3-4-10(7-16-9)15(21)18-17-8-11-5-12(19(22)23)6-13(24-2)14(11)20/h3-8,20H,1-2H3,(H,18,21).
What are the key properties of N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 330.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3616787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).