2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride

C18H24ClN3O — CID 120617873

IUPAC2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
SMILESCC(C)c1ccc(C(C)NC(=O)Cc2ccc(N)cn2)cc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-12(2)14-4-6-15(7-5-14)13(3)21-18(22)10-17-9-8-16(19)11-20-17;/h4-9,11-13H,10,19H2,1-3H3,(H,21,22);1H
InChIKeyXZANLYZHVGQRQI-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.63
Rot. Bonds5

About 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride (PubChem CID 120617873) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
PubChem CID120617873
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
SMILESCC(C)c1ccc(C(C)NC(=O)Cc2ccc(N)cn2)cc1.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-12(2)14-4-6-15(7-5-14)13(3)21-18(22)10-17-9-8-16(19)11-20-17;/h4-9,11-13H,10,19H2,1-3H3,(H,21,22);1H
InChIKeyXZANLYZHVGQRQI-UHFFFAOYSA-N
XLogP3.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
2-(5-amino-2-pyridinyl)-N-[1-(4-tert-butylphenyl)ethyl]acetamide
CID 120621513
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
2-(5-amino-2-pyridinyl)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 107337738
2-(5-amino-2-pyridinyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120620251
2-(5-amino-2-pyridinyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 107339328
2-(5-amino-2-pyridinyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 120622083
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393
2-(5-amino-2-pyridinyl)-N-[2,4-di(propan-2-yl)phenyl]acetamide;hydrochloride
CID 120622112
2-(5-amino-2-pyridinyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide;hydrochloride
CID 120621940

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride (CID 120617873) is 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride is CC(C)c1ccc(C(C)NC(=O)Cc2ccc(N)cn2)cc1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is XZANLYZHVGQRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-12(2)14-4-6-15(7-5-14)13(3)21-18(22)10-17-9-8-16(19)11-20-17;/h4-9,11-13H,10,19H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120617873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).