2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide

C17H21N3O2 — CID 120621270

IUPAC2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)Cc2ccc(N)cn2)c1
InChIInChI=1S/C17H21N3O2/c1-12(2)11-22-16-5-3-4-15(8-16)20-17(21)9-14-7-6-13(18)10-19-14/h3-8,10,12H,9,11,18H2,1-2H3,(H,20,21)
InChIKeyZFSBDFLMBDSGJO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.88
Rot. Bonds6

About 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide

2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 120621270) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID120621270
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)Cc2ccc(N)cn2)c1
InChIInChI=1S/C17H21N3O2/c1-12(2)11-22-16-5-3-4-15(8-16)20-17(21)9-14-7-6-13(18)10-19-14/h3-8,10,12H,9,11,18H2,1-2H3,(H,20,21)
InChIKeyZFSBDFLMBDSGJO-UHFFFAOYSA-N
XLogP2.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(3,5-dimethoxyphenyl)acetamide
CID 107337401
2-(5-amino-2-pyridinyl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 107337793
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 81075304
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
methyl 4-[3-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17079568
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide (CID 120621270) is 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1cccc(NC(=O)Cc2ccc(N)cn2)c1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is ZFSBDFLMBDSGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)11-22-16-5-3-4-15(8-16)20-17(21)9-14-7-6-13(18)10-19-14/h3-8,10,12H,9,11,18H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide?
2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 120621270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).