N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide

C21H26N4O3 — CID 5430549

IUPACN-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCCN1CCCCC1
InChIInChI=1S/C21H26N4O3/c1-27-20-15-17(16-23-24-21(26)18-7-9-22-10-8-18)5-6-19(20)28-14-13-25-11-3-2-4-12-25/h5-10,15-16H,2-4,11-14H2,1H3,(H,24,26)/b23-16-
InChIKeyKZGINLIOXMLRJL-KQWNVCNZSA-N
MW382.46 g/mol
LogP2.72
Rot. Bonds8

About N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 5430549) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID5430549
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCCN1CCCCC1
InChIInChI=1S/C21H26N4O3/c1-27-20-15-17(16-23-24-21(26)18-7-9-22-10-8-18)5-6-19(20)28-14-13-25-11-3-2-4-12-25/h5-10,15-16H,2-4,11-14H2,1H3,(H,24,26)/b23-16-
InChIKeyKZGINLIOXMLRJL-KQWNVCNZSA-N
XLogP2.72
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 1000041
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
3-hydroxy-N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5430547
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6102913
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
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide (CID 5430549) is N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCCN1CCCCC1.
What is the InChIKey of N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is KZGINLIOXMLRJL-KQWNVCNZSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-20-15-17(16-23-24-21(26)18-7-9-22-10-8-18)5-6-19(20)28-14-13-25-11-3-2-4-12-25/h5-10,15-16H,2-4,11-14H2,1H3,(H,24,26)/b23-16-.
What are the key properties of N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5430549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).