N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C14H11N5O6 — CID 3274158

IUPACN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cn1
InChIInChI=1S/C14H11N5O6/c1-8-2-3-9(6-15-8)14(21)17-16-7-10-4-11(18(22)23)5-12(13(10)20)19(24)25/h2-7,20H,1H3,(H,17,21)
InChIKeyKMWODDCFQBEHAA-UHFFFAOYSA-N
MW345.27 g/mol
LogP1.68
Rot. Bonds5

About N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 3274158) has the molecular formula C14H11N5O6 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID3274158
Molecular FormulaC14H11N5O6
Molecular Weight345.27 g/mol
Exact Mass345.07
IUPAC NameN-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cn1
InChIInChI=1S/C14H11N5O6/c1-8-2-3-9(6-15-8)14(21)17-16-7-10-4-11(18(22)23)5-12(13(10)20)19(24)25/h2-7,20H,1H3,(H,17,21)
InChIKeyKMWODDCFQBEHAA-UHFFFAOYSA-N
XLogP1.68
TPSA160.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3616787
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334500
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
4-chloro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
CID 135579203
2-[[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 7334477
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135933657
N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
CID 135554639
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3503714
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135629473
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 1237230
4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4291162

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 3274158) is N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cn1.
What is the InChIKey of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is KMWODDCFQBEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O6/c1-8-2-3-9(6-15-8)14(21)17-16-7-10-4-11(18(22)23)5-12(13(10)20)19(24)25/h2-7,20H,1H3,(H,17,21).
What are the key properties of N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 345.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3274158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).