N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide

C17H19N3O2 — CID 110510127

IUPACN-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCC(C)COc1ccccc1/C=N\NC(=O)c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-13(2)12-22-16-8-4-3-6-14(16)11-19-20-17(21)15-7-5-9-18-10-15/h3-11,13H,12H2,1-2H3,(H,20,21)/b19-11-
InChIKeyPQFNOWFREIYJDC-ODLFYWEKSA-N
MW297.36 g/mol
LogP2.88
Rot. Bonds6

About N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide

N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 110510127) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID110510127
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCC(C)COc1ccccc1/C=N\NC(=O)c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-13(2)12-22-16-8-4-3-6-14(16)11-19-20-17(21)15-7-5-9-18-10-15/h3-11,13H,12H2,1-2H3,(H,20,21)/b19-11-
InChIKeyPQFNOWFREIYJDC-ODLFYWEKSA-N
XLogP2.88
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6906959
4-[[2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 7343454
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
6-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-2-oxo-1H-pyrimidine-4-carboxamide
CID 110525976
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527523
N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 6090639
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781488
2-(2-chlorophenyl)-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110527048
N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4004160

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide (CID 110510127) is N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide is CC(C)COc1ccccc1/C=N\NC(=O)c1cccnc1.
What is the InChIKey of N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is PQFNOWFREIYJDC-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13(2)12-22-16-8-4-3-6-14(16)11-19-20-17(21)15-7-5-9-18-10-15/h3-11,13H,12H2,1-2H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110510127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).