N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide

C17H21N3O2 — CID 113009745

IUPACN-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide
SMILESCCC(C)Nc1ccc(NC(=O)COc2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-3-13(2)19-16-10-9-14(11-18-16)20-17(21)12-22-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAIJYPVOVFWRCBN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.31
Rot. Bonds7

About N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide

N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide (PubChem CID 113009745) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide
PubChem CID113009745
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide
SMILESCCC(C)Nc1ccc(NC(=O)COc2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-3-13(2)19-16-10-9-14(11-18-16)20-17(21)12-22-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAIJYPVOVFWRCBN-UHFFFAOYSA-N
XLogP3.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113010076
2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
CID 113017912
N-(6-fluoro-3-pyridinyl)-2-phenoxyacetamide
CID 103789815
2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
N-[5-(2-ethoxyanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113034277
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide (CID 113009745) is N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide is CCC(C)Nc1ccc(NC(=O)COc2ccccc2)cn1.
What is the InChIKey of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide?
The InChIKey is AIJYPVOVFWRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-13(2)19-16-10-9-14(11-18-16)20-17(21)12-22-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide?
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 113009745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).