2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide

C17H18ClN3O2 — CID 139571625

IUPAC2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide
SMILESC/N=C/c1c(NC(=O)COc2ccc(Cl)cc2)cnc(C)c1C
InChIInChI=1S/C17H18ClN3O2/c1-11-12(2)20-9-16(15(11)8-19-3)21-17(22)10-23-14-6-4-13(18)5-7-14/h4-9H,10H2,1-3H3,(H,21,22)/b19-8+
InChIKeyVOTIAVWVBGLXCZ-UFWORHAWSA-N
MW331.80 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide

2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide (PubChem CID 139571625) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide
PubChem CID139571625
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide
SMILESC/N=C/c1c(NC(=O)COc2ccc(Cl)cc2)cnc(C)c1C
InChIInChI=1S/C17H18ClN3O2/c1-11-12(2)20-9-16(15(11)8-19-3)21-17(22)10-23-14-6-4-13(18)5-7-14/h4-9H,10H2,1-3H3,(H,21,22)/b19-8+
InChIKeyVOTIAVWVBGLXCZ-UFWORHAWSA-N
XLogP3.42
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112722
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 122304290
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899034

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide (CID 139571625) is 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide is C/N=C/c1c(NC(=O)COc2ccc(Cl)cc2)cnc(C)c1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide?
The InChIKey is VOTIAVWVBGLXCZ-UFWORHAWSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-12(2)20-9-16(15(11)8-19-3)21-17(22)10-23-14-6-4-13(18)5-7-14/h4-9H,10H2,1-3H3,(H,21,22)/b19-8+.
What are the key properties of 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide?
2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5,6-dimethyl-4-(methyliminomethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 139571625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).