N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide

C19H23N4O3+ — CID 7741045

IUPACN-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C19H22N4O3/c1-25-18-3-2-15(12-17(18)14-23-8-10-26-11-9-23)13-21-22-19(24)16-4-6-20-7-5-16/h2-7,12-13H,8-11,14H2,1H3,(H,22,24)/p+1/b21-13-
InChIKeyOARHEGYIRIJQOA-BKUYFWCQSA-O
MW355.42 g/mol
LogP0.27
Rot. Bonds6

About N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 7741045) has the molecular formula C19H23N4O3+ and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID7741045
Molecular FormulaC19H23N4O3+
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C19H22N4O3/c1-25-18-3-2-15(12-17(18)14-23-8-10-26-11-9-23)13-21-22-19(24)16-4-6-20-7-5-16/h2-7,12-13H,8-11,14H2,1H3,(H,22,24)/p+1/b21-13-
InChIKeyOARHEGYIRIJQOA-BKUYFWCQSA-O
XLogP0.27
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.27
H-Bond Donors ≤ 52
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

N-[2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 7335954
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
2-[(2Z)-2-[[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529614
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
N-[(E)-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 46495342
tert-butyl [2-methoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] carbonate
CID 45109190

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide (CID 7741045) is N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide is COc1ccc(/C=N\NC(=O)c2ccncc2)cc1C[NH+]1CCOCC1.
What is the InChIKey of N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is OARHEGYIRIJQOA-BKUYFWCQSA-O. The full InChI is InChI=1S/C19H22N4O3/c1-25-18-3-2-15(12-17(18)14-23-8-10-26-11-9-23)13-21-22-19(24)16-4-6-20-7-5-16/h2-7,12-13H,8-11,14H2,1H3,(H,22,24)/p+1/b21-13-.
What are the key properties of N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 7741045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).