5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide

C14H11BrN4O4 — CID 3359702

IUPAC5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cncc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrN4O4/c1-23-13-3-2-9(4-12(13)19(21)22)6-17-18-14(20)10-5-11(15)8-16-7-10/h2-8H,1H3,(H,18,20)
InChIKeyIVITVMJDIDFANE-UHFFFAOYSA-N
MW379.17 g/mol
LogP2.52
Rot. Bonds5

About 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 3359702) has the molecular formula C14H11BrN4O4 and a molecular weight of 379.17 g/mol. Its IUPAC name is 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID3359702
Molecular FormulaC14H11BrN4O4
Molecular Weight379.17 g/mol
Exact Mass378.00
IUPAC Name5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cncc(Br)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrN4O4/c1-23-13-3-2-9(4-12(13)19(21)22)6-17-18-14(20)10-5-11(15)8-16-7-10/h2-8H,1H3,(H,18,20)
InChIKeyIVITVMJDIDFANE-UHFFFAOYSA-N
XLogP2.52
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 52.52
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

5-bromo-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 135796985
5-bromo-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 5437060
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1048926
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
[4-[[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-3-nitrophenyl] acetate
CID 4570521
[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 5458091
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 3359702) is 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide is COc1ccc(C=NNC(=O)c2cncc(Br)c2)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is IVITVMJDIDFANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O4/c1-23-13-3-2-9(4-12(13)19(21)22)6-17-18-14(20)10-5-11(15)8-16-7-10/h2-8H,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 379.17 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3359702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).