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

C20H27N3O2 — CID 118429852

IUPACN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C)c2)ccn1
InChIInChI=1S/C20H27N3O2/c1-13(2)9-18(21)12-25-19-6-5-16(10-14(19)3)17-7-8-22-20(11-17)23-15(4)24/h5-8,10-11,13,18H,9,12,21H2,1-4H3,(H,22,23,24)/t18-/m0/s1
InChIKeyUZGBIRGBWRCWKF-SFHVURJKSA-N
MW341.46 g/mol
LogP3.77
Rot. Bonds7

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

N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide (PubChem CID 118429852) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide
PubChem CID118429852
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C)c2)ccn1
InChIInChI=1S/C20H27N3O2/c1-13(2)9-18(21)12-25-19-6-5-16(10-14(19)3)17-7-8-22-20(11-17)23-15(4)24/h5-8,10-11,13,18H,9,12,21H2,1-4H3,(H,22,23,24)/t18-/m0/s1
InChIKeyUZGBIRGBWRCWKF-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide (CID 118429852) is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C)c2)ccn1.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide?
The InChIKey is UZGBIRGBWRCWKF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)9-18(21)12-25-19-6-5-16(10-14(19)3)17-7-8-22-20(11-17)23-15(4)24/h5-8,10-11,13,18H,9,12,21H2,1-4H3,(H,22,23,24)/t18-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-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-[4-[(2S)-2-amino-4-methylpentoxy]-3-methylphenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118429852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).