2-(4-methoxyanilino)-2-pyridin-3-ylacetamide

C14H15N3O2 — CID 54889099

IUPAC2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
SMILESCOc1ccc(NC(C(N)=O)c2cccnc2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-12-6-4-11(5-7-12)17-13(14(15)18)10-3-2-8-16-9-10/h2-9,13,17H,1H3,(H2,15,18)
InChIKeyDTBOSZBLMARDPK-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide

2-(4-methoxyanilino)-2-pyridin-3-ylacetamide (PubChem CID 54889099) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
PubChem CID54889099
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
SMILESCOc1ccc(NC(C(N)=O)c2cccnc2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-12-6-4-11(5-7-12)17-13(14(15)18)10-3-2-8-16-9-10/h2-9,13,17H,1H3,(H2,15,18)
InChIKeyDTBOSZBLMARDPK-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
2-(3-ethylimidazol-4-yl)-2-(4-methoxyanilino)acetamide
CID 66135745
methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate
CID 11230271
2-[[5-(2-fluoro-5-methoxyphenyl)-3-pyridinyl]amino]-2-phenylacetamide
CID 73331071
2-(4-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937350
2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 81146886
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
2-anilino-2-phenylacetamide;ethane
CID 142824395
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide (CID 54889099) is 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide is COc1ccc(NC(C(N)=O)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide?
The InChIKey is DTBOSZBLMARDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-12-6-4-11(5-7-12)17-13(14(15)18)10-3-2-8-16-9-10/h2-9,13,17H,1H3,(H2,15,18).
What are the key properties of 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide?
2-(4-methoxyanilino)-2-pyridin-3-ylacetamide has a molecular weight of 257.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 54889099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).