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

C20H24N4O2 — CID 118419786

IUPACN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C#N)c2)ccn1
InChIInChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1
InChIKeyHTMZSVARGJGKLE-SFHVURJKSA-N
MW352.44 g/mol
LogP3.33
Rot. Bonds7

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

N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide (PubChem CID 118419786) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide
PubChem CID118419786
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C#N)c2)ccn1
InChIInChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1
InChIKeyHTMZSVARGJGKLE-SFHVURJKSA-N
XLogP3.33
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.33
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-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide (CID 118419786) is N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(C#N)c2)ccn1.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
The InChIKey is HTMZSVARGJGKLE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 3.33, 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-4-methylpentoxy]-3-cyanophenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118419786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).