N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C21H24N6O2 — CID 90677386

IUPACN-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCCCc1cn(CCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1
InChIInChI=1S/C21H24N6O2/c1-2-4-19-16-27(26-24-19)13-3-14-29-20-7-5-17(6-8-20)15-23-25-21(28)18-9-11-22-12-10-18/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,28)/b23-15+
InChIKeyZRLVQFAVIHWCLU-HZHRSRAPSA-N
MW392.46 g/mol
LogP2.86
Rot. Bonds10

About N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 90677386) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID90677386
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCCCc1cn(CCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1
InChIInChI=1S/C21H24N6O2/c1-2-4-19-16-27(26-24-19)13-3-14-29-20-7-5-17(6-8-20)15-23-25-21(28)18-9-11-22-12-10-18/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,28)/b23-15+
InChIKeyZRLVQFAVIHWCLU-HZHRSRAPSA-N
XLogP2.86
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 6880157
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-ethoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411787
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 4790015
4-(benzyloxy)-N'-[(E)-pyridin-4-ylmethylidene]benzohydrazide
CID 6867032
N-Phenyl-2-{4-[(pyridine-4-carbonyl)-hydrazonomethyl]-phenoxy}-acetamide
CID 9564310
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}isonicotinamide
CID 9643723
N'-[(E)-(2-methyl-2H-chromen-3-yl)methylidene]pyridine-4-carbohydrazide
CID 9677865
2-(4-ethoxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 25237298
N'-[(E)-{1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene]pyridine-4-carbohydrazide
CID 6862762

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 90677386) is N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is CCCc1cn(CCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1.
What is the InChIKey of N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is ZRLVQFAVIHWCLU-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-4-19-16-27(26-24-19)13-3-14-29-20-7-5-17(6-8-20)15-23-25-21(28)18-9-11-22-12-10-18/h5-12,15-16H,2-4,13-14H2,1H3,(H,25,28)/b23-15+.
What are the key properties of N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[3-(4-propyltriazol-1-yl)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 90677386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).