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

C14H12N4O4 — CID 7334500

IUPACN-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H12N4O4/c1-9-2-3-10(7-15-9)14(20)17-16-8-11-6-12(19)4-5-13(11)18(21)22/h2-8,19H,1H3,(H,17,20)/b16-8+
InChIKeyHPNJWPIUCCHAMM-LZYBPNLTSA-N
MW300.27 g/mol
LogP1.77
Rot. Bonds4

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

N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 7334500) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID7334500
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC NameN-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H12N4O4/c1-9-2-3-10(7-15-9)14(20)17-16-8-11-6-12(19)4-5-13(11)18(21)22/h2-8,19H,1H3,(H,17,20)/b16-8+
InChIKeyHPNJWPIUCCHAMM-LZYBPNLTSA-N
XLogP1.77
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 7334477
3-bromo-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 71951588
N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3616787
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 155679940
2-hydroxy-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
CID 7373636
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 1237230
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643416
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 7334500) is N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cn1.
What is the InChIKey of N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is HPNJWPIUCCHAMM-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12N4O4/c1-9-2-3-10(7-15-9)14(20)17-16-8-11-6-12(19)4-5-13(11)18(21)22/h2-8,19H,1H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 300.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 7334500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).