N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide

C14H12N4O4 — CID 136698137

IUPACN-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H12N4O4/c1-9(12-7-11(18(21)22)4-5-13(12)19)16-17-14(20)10-3-2-6-15-8-10/h2-8,19H,1H3,(H,17,20)/b16-9-
InChIKeyHHEOFOOKPLJLTP-SXGWCWSVSA-N
MW300.27 g/mol
LogP1.85
Rot. Bonds4

About N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 136698137) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID136698137
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC NameN-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H12N4O4/c1-9(12-7-11(18(21)22)4-5-13(12)19)16-17-14(20)10-3-2-6-15-8-10/h2-8,19H,1H3,(H,17,20)/b16-9-
InChIKeyHHEOFOOKPLJLTP-SXGWCWSVSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 830822
N-[(Z)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]pyridine-3-carboxamide
CID 136791522
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide (CID 136698137) is N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1cccnc1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is HHEOFOOKPLJLTP-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H12N4O4/c1-9(12-7-11(18(21)22)4-5-13(12)19)16-17-14(20)10-3-2-6-15-8-10/h2-8,19H,1H3,(H,17,20)/b16-9-.
What are the key properties of N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 300.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 136698137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).