3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide

C18H21N3O2 — CID 6882354

IUPAC3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
SMILESCC(C)Oc1ccc(CCC(=O)N/N=C/c2ccncc2)cc1
InChIInChI=1S/C18H21N3O2/c1-14(2)23-17-6-3-15(4-7-17)5-8-18(22)21-20-13-16-9-11-19-12-10-16/h3-4,6-7,9-14H,5,8H2,1-2H3,(H,21,22)/b20-13+
InChIKeyOCXWXUMTNZPQIX-DEDYPNTBSA-N
MW311.38 g/mol
LogP2.95
Rot. Bonds7

About 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide

3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide (PubChem CID 6882354) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
PubChem CID6882354
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
SMILESCC(C)Oc1ccc(CCC(=O)N/N=C/c2ccncc2)cc1
InChIInChI=1S/C18H21N3O2/c1-14(2)23-17-6-3-15(4-7-17)5-8-18(22)21-20-13-16-9-11-19-12-10-16/h3-4,6-7,9-14H,5,8H2,1-2H3,(H,21,22)/b20-13+
InChIKeyOCXWXUMTNZPQIX-DEDYPNTBSA-N
XLogP2.95
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.95
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

2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Pyridin-4-Yl)methyl]-L-Tyrosinamide
CID 10697355
N'-[(E)-(3-methoxyphenyl)methylidene]-2-(morpholin-4-yl)-2-(pyridin-4-yl)acetohydrazide
CID 9622548
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
N'-(3-Methoxybenzylidene)isonicotinohydrazide
CID 6787085
2-[4-(4-cyanophenyl)phenoxy]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2404738
N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide
CID 4780082
N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 4790015
N'-[2-(4-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 5099490

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide?
The IUPAC name of 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide (CID 6882354) is 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide is CC(C)Oc1ccc(CCC(=O)N/N=C/c2ccncc2)cc1.
What is the InChIKey of 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide?
The InChIKey is OCXWXUMTNZPQIX-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14(2)23-17-6-3-15(4-7-17)5-8-18(22)21-20-13-16-9-11-19-12-10-16/h3-4,6-7,9-14H,5,8H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide?
3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide has a molecular weight of 311.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide is sourced from PubChem (CID 6882354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).