2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

C16H18N4O — CID 6092833

IUPAC2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESCc1cccc(C)c1NCC(=O)N/N=C\c1ccncc1
InChIInChI=1S/C16H18N4O/c1-12-4-3-5-13(2)16(12)18-11-15(21)20-19-10-14-6-8-17-9-7-14/h3-10,18H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyZMBFZEPWXLUKSQ-GRSHGNNSSA-N
MW282.35 g/mol
LogP2.26
Rot. Bonds5

About 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (PubChem CID 6092833) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
PubChem CID6092833
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
SMILESCc1cccc(C)c1NCC(=O)N/N=C\c1ccncc1
InChIInChI=1S/C16H18N4O/c1-12-4-3-5-13(2)16(12)18-11-15(21)20-19-10-14-6-8-17-9-7-14/h3-10,18H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyZMBFZEPWXLUKSQ-GRSHGNNSSA-N
XLogP2.26
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
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

N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 6078696
2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3296653
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123
2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6052254
2-(3-nitroanilino)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 58897637
2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 73226720
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
N-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 4228313
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 687805

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide (CID 6092833) is 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is Cc1cccc(C)c1NCC(=O)N/N=C\c1ccncc1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
The InChIKey is ZMBFZEPWXLUKSQ-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-4-3-5-13(2)16(12)18-11-15(21)20-19-10-14-6-8-17-9-7-14/h3-10,18H,11H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide?
2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide has a molecular weight of 282.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 6092833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).