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

C20H26FN3O2 — CID 118420285

IUPACN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C20H26FN3O2/c1-13(2)11-20(4,22)12-26-18-6-5-15(9-17(18)21)16-7-8-23-19(10-16)24-14(3)25/h5-10,13H,11-12,22H2,1-4H3,(H,23,24,25)/t20-/m0/s1
InChIKeyGRSIRCARZOBGMU-FQEVSTJZSA-N
MW359.45 g/mol
LogP3.99
Rot. Bonds7

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

N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide (PubChem CID 118420285) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide
PubChem CID118420285
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C20H26FN3O2/c1-13(2)11-20(4,22)12-26-18-6-5-15(9-17(18)21)16-7-8-23-19(10-16)24-14(3)25/h5-10,13H,11-12,22H2,1-4H3,(H,23,24,25)/t20-/m0/s1
InChIKeyGRSIRCARZOBGMU-FQEVSTJZSA-N
XLogP3.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Didehydro rosiglitazone, (5Z)-
CID 10119132
1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
[({4-[4-(Propan-2-Yloxy)phenyl]pyridin-2-Yl}amino)methanediyl]bis(Phosphonic Acid)
CID 54674305
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
US10155760, Example 23
CID 118419711
US10155760, Example 6
CID 118419763
US10155760, Example 3
CID 118419786
US10155760, Example 19
CID 118419969
US10155760, Example 21
CID 118420000
US10155760, Example 2
CID 118420021
US10155760, Example 12
CID 118420154

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide (CID 118420285) is N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1.
What is the InChIKey of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide?
The InChIKey is GRSIRCARZOBGMU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-13(2)11-20(4,22)12-26-18-6-5-15(9-17(18)21)16-7-8-23-19(10-16)24-14(3)25/h5-10,13H,11-12,22H2,1-4H3,(H,23,24,25)/t20-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide?
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 3.99, 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-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118420285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).