N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide

C21H26N4O2 — CID 118420000

IUPACN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1
InChIInChI=1S/C21H26N4O2/c1-14(2)11-21(4,23)13-27-19-6-5-16(9-18(19)12-22)17-7-8-24-20(10-17)25-15(3)26/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1
InChIKeyKYMVFHAFTDDWKW-NRFANRHFSA-N
MW366.47 g/mol
LogP3.72
Rot. Bonds7

About N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide

N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide (PubChem CID 118420000) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide
PubChem CID118420000
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1
InChIInChI=1S/C21H26N4O2/c1-14(2)11-21(4,23)13-27-19-6-5-16(9-18(19)12-22)17-7-8-24-20(10-17)25-15(3)26/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1
InChIKeyKYMVFHAFTDDWKW-NRFANRHFSA-N
XLogP3.72
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide (CID 118420000) is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C#N)c2)ccn1.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
The InChIKey is KYMVFHAFTDDWKW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)11-21(4,23)13-27-19-6-5-16(9-18(19)12-22)17-7-8-24-20(10-17)25-15(3)26/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118420000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).