N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide

C18H15N7O3 — CID 20614337

IUPACN'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide
SMILESCOc1ccc(NN=C(/N=N/c2ccc([N+](=O)[O-])cn2)c2cccnc2)cc1
InChIInChI=1S/C18H15N7O3/c1-28-16-7-4-14(5-8-16)21-23-18(13-3-2-10-19-11-13)24-22-17-9-6-15(12-20-17)25(26)27/h2-12,21H,1H3/b23-18?,24-22+
InChIKeyWBZFQRVMJUAADA-YTURLTKASA-N
MW377.36 g/mol
LogP3.95
Rot. Bonds6

About N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide

N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide (PubChem CID 20614337) has the molecular formula C18H15N7O3 and a molecular weight of 377.36 g/mol. Its IUPAC name is N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide
PubChem CID20614337
Molecular FormulaC18H15N7O3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC NameN'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide
SMILESCOc1ccc(NN=C(/N=N/c2ccc([N+](=O)[O-])cn2)c2cccnc2)cc1
InChIInChI=1S/C18H15N7O3/c1-28-16-7-4-14(5-8-16)21-23-18(13-3-2-10-19-11-13)24-22-17-9-6-15(12-20-17)25(26)27/h2-12,21H,1H3/b23-18?,24-22+
InChIKeyWBZFQRVMJUAADA-YTURLTKASA-N
XLogP3.95
TPSA127.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylimino)-3-methoxy-N'-(4-nitroanilino)benzenecarboximidamide
CID 154521485
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
N-[2-methoxy-4-[3-methoxy-4-[[N-(4-nitroanilino)-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]imino-N'-(4-nitroanilino)benzenecarboximidamide
CID 4066202
bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel
CID 135978134
(5-nitro-2-pyridinyl)-[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazene
CID 90968178
[1-(4-methoxyphenyl)pyrrol-2-yl]methyl-(5-nitro-2-pyridinyl)diazene
CID 170921731
(4-nitrophenyl) (2E,4Z)-5-(4-methoxyphenyl)-5-pyridin-3-ylpenta-2,4-dienoate
CID 14347452
[4-[(Z)-[[2-[(4-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 6005718
N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 101459660
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N-(4-methoxyphenyl)-5-nitro-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6304428

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide?
The IUPAC name of N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide (CID 20614337) is N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide?
The canonical SMILES for N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide is COc1ccc(NN=C(/N=N/c2ccc([N+](=O)[O-])cn2)c2cccnc2)cc1.
What is the InChIKey of N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide?
The InChIKey is WBZFQRVMJUAADA-YTURLTKASA-N. The full InChI is InChI=1S/C18H15N7O3/c1-28-16-7-4-14(5-8-16)21-23-18(13-3-2-10-19-11-13)24-22-17-9-6-15(12-20-17)25(26)27/h2-12,21H,1H3/b23-18?,24-22+.
What are the key properties of N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide?
N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide has a molecular weight of 377.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyanilino)-N-[(5-nitro-2-pyridinyl)imino]pyridine-3-carboximidamide is sourced from PubChem (CID 20614337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).