N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide

C20H23N3O3 — CID 110510129

IUPACN-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide
SMILESCCCCCCOc1ccccc1C(=O)/C=N\NC(=O)c1cccnc1
InChIInChI=1S/C20H23N3O3/c1-2-3-4-7-13-26-19-11-6-5-10-17(19)18(24)15-22-23-20(25)16-9-8-12-21-14-16/h5-6,8-12,14-15H,2-4,7,13H2,1H3,(H,23,25)/b22-15-
InChIKeyMXBBPUSRXMPDHB-JCMHNJIXSA-N
MW353.42 g/mol
LogP3.64
Rot. Bonds10

About N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide

N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide (PubChem CID 110510129) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide
PubChem CID110510129
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide
SMILESCCCCCCOc1ccccc1C(=O)/C=N\NC(=O)c1cccnc1
InChIInChI=1S/C20H23N3O3/c1-2-3-4-7-13-26-19-11-6-5-10-17(19)18(24)15-22-23-20(25)16-9-8-12-21-14-16/h5-6,8-12,14-15H,2-4,7,13H2,1H3,(H,23,25)/b22-15-
InChIKeyMXBBPUSRXMPDHB-JCMHNJIXSA-N
XLogP3.64
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2E)-1-(2-hexoxyphenyl)-2-(pyridin-2-ylhydrazinylidene)ethanone
CID 110505608
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide
CID 110515291
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522844
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 842406
1-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508445
N-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2,4-dimethylbenzenesulfonamide
CID 110517810
2,2,2-trifluoro-1-(2-hexoxyphenyl)ethanone
CID 83952477
heptyl pyridine-3-carboxylate
CID 531638

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide (CID 110510129) is N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide is CCCCCCOc1ccccc1C(=O)/C=N\NC(=O)c1cccnc1.
What is the InChIKey of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide?
The InChIKey is MXBBPUSRXMPDHB-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-3-4-7-13-26-19-11-6-5-10-17(19)18(24)15-22-23-20(25)16-9-8-12-21-14-16/h5-6,8-12,14-15H,2-4,7,13H2,1H3,(H,23,25)/b22-15-.
What are the key properties of N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide?
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 110510129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).