N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide

C15H14N4O4 — CID 5335115

IUPACN-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O4/c1-10(17-18-15(20)12-5-3-4-8-16-12)11-6-7-14(23-2)13(9-11)19(21)22/h3-9H,1-2H3,(H,18,20)/b17-10+
InChIKeyIDEPTYBKCJHFOC-LICLKQGHSA-N
MW314.30 g/mol
LogP2.15
Rot. Bonds5

About N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide

N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 5335115) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID5335115
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O4/c1-10(17-18-15(20)12-5-3-4-8-16-12)11-6-7-14(23-2)13(9-11)19(21)22/h3-9H,1-2H3,(H,18,20)/b17-10+
InChIKeyIDEPTYBKCJHFOC-LICLKQGHSA-N
XLogP2.15
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
CID 5334872
2-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 1113261
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015637
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(ethylamino)-3-nitrobenzamide
CID 29225122
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide (CID 5335115) is N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide is COc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is IDEPTYBKCJHFOC-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-10(17-18-15(20)12-5-3-4-8-16-12)11-6-7-14(23-2)13(9-11)19(21)22/h3-9H,1-2H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5335115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).