N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide

C20H27N3O2 — CID 118420569

IUPACN-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C)c2OCC(N)CC(C)C)ccn1
InChIInChI=1S/C20H27N3O2/c1-13(2)10-17(21)12-25-20-14(3)6-5-7-18(20)16-8-9-22-19(11-16)23-15(4)24/h5-9,11,13,17H,10,12,21H2,1-4H3,(H,22,23,24)
InChIKeyASOUZMYUBMJVEL-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.77
Rot. Bonds7

About N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide

N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide (PubChem CID 118420569) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide
PubChem CID118420569
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C)c2OCC(N)CC(C)C)ccn1
InChIInChI=1S/C20H27N3O2/c1-13(2)10-17(21)12-25-20-14(3)6-5-7-18(20)16-8-9-22-19(11-16)23-15(4)24/h5-9,11,13,17H,10,12,21H2,1-4H3,(H,22,23,24)
InChIKeyASOUZMYUBMJVEL-UHFFFAOYSA-N
XLogP3.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[4-(2-acetamido-4-pyridinyl)-2-chloro-6-fluorophenoxy]-4-methylpentan-2-yl] carbamate
CID 175071493
N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 167981545
N-[4-(aminomethyl)-2-pyridinyl]-2-(2,6-dimethylphenoxy)acetamide
CID 82343940
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
N-[4-(4,5-dimethylthiophen-2-yl)-2-pyridinyl]acetamide
CID 58094790
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
CID 144939875
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
CID 122055375
2-methylpropyl 3-methyl-2-(2-methylpropoxy)benzoate
CID 141402360
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
3-[[4-[(2R)-2-amino-4-methylpentoxy]-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]benzoic acid
CID 163243501
4-(2-amino-4-methylpentoxy)-6-(2,6-dimethylphenyl)-N-methylsulfanylpyridin-2-amine
CID 163245720

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide (CID 118420569) is N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cccc(C)c2OCC(N)CC(C)C)ccn1.
What is the InChIKey of N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide?
The InChIKey is ASOUZMYUBMJVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)10-17(21)12-25-20-14(3)6-5-7-18(20)16-8-9-22-19(11-16)23-15(4)24/h5-9,11,13,17H,10,12,21H2,1-4H3,(H,22,23,24).
What are the key properties of N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide?
N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118420569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).