2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid

C21H24N2O3 — CID 58565184

IUPAC2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid
SMILESCCN(Cc1cc(C)ccc1-c1cccc(CC(=O)O)n1)C(=O)C1CC1
InChIInChI=1S/C21H24N2O3/c1-3-23(21(26)15-8-9-15)13-16-11-14(2)7-10-18(16)19-6-4-5-17(22-19)12-20(24)25/h4-7,10-11,15H,3,8-9,12-13H2,1-2H3,(H,24,25)
InChIKeyRSCQKJBYIBLZBK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.44
Rot. Bonds7

About 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid

2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid (PubChem CID 58565184) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid
PubChem CID58565184
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid
SMILESCCN(Cc1cc(C)ccc1-c1cccc(CC(=O)O)n1)C(=O)C1CC1
InChIInChI=1S/C21H24N2O3/c1-3-23(21(26)15-8-9-15)13-16-11-14(2)7-10-18(16)19-6-4-5-17(22-19)12-20(24)25/h4-7,10-11,15H,3,8-9,12-13H2,1-2H3,(H,24,25)
InChIKeyRSCQKJBYIBLZBK-UHFFFAOYSA-N
XLogP3.44
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid (CID 58565184) is 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid is CCN(Cc1cc(C)ccc1-c1cccc(CC(=O)O)n1)C(=O)C1CC1.
What is the InChIKey of 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid?
The InChIKey is RSCQKJBYIBLZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-23(21(26)15-8-9-15)13-16-11-14(2)7-10-18(16)19-6-4-5-17(22-19)12-20(24)25/h4-7,10-11,15H,3,8-9,12-13H2,1-2H3,(H,24,25).
What are the key properties of 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid?
2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid has a molecular weight of 352.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 58565184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).