N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide

C17H19N3O3 — CID 6894142

IUPACN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-3-10-23-15-5-4-13(11-16(15)22-2)12-19-20-17(21)14-6-8-18-9-7-14/h4-9,11-12H,3,10H2,1-2H3,(H,20,21)/b19-12+
InChIKeySFKUMMJZTQEBNE-XDHOZWIPSA-N
MW313.36 g/mol
LogP2.64
Rot. Bonds7

About N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6894142) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6894142
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C17H19N3O3/c1-3-10-23-15-5-4-13(11-16(15)22-2)12-19-20-17(21)14-6-8-18-9-7-14/h4-9,11-12H,3,10H2,1-2H3,(H,20,21)/b19-12+
InChIKeySFKUMMJZTQEBNE-XDHOZWIPSA-N
XLogP2.64
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6102913
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
N-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 1000041
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5430549
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514701
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 6894142) is N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide is CCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC.
What is the InChIKey of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is SFKUMMJZTQEBNE-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-10-23-15-5-4-13(11-16(15)22-2)12-19-20-17(21)14-6-8-18-9-7-14/h4-9,11-12H,3,10H2,1-2H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6894142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).