2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid

C28H30N2O5 — CID 57395680

IUPAC2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid
SMILESCCN(Cc1cc(-c2ccc(OC)cn2)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1
InChIInChI=1S/C28H30N2O5/c1-4-30(28(33)19-6-7-19)17-21-15-20(25-11-9-22(34-2)16-29-25)8-10-23(21)24-13-18(14-27(31)32)5-12-26(24)35-3/h5,8-13,15-16,19H,4,6-7,14,17H2,1-3H3,(H,31,32)
InChIKeyJELRQODXPDQHAN-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.82
Rot. Bonds10

About 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid

2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid (PubChem CID 57395680) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid
PubChem CID57395680
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid
SMILESCCN(Cc1cc(-c2ccc(OC)cn2)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1
InChIInChI=1S/C28H30N2O5/c1-4-30(28(33)19-6-7-19)17-21-15-20(25-11-9-22(34-2)16-29-25)8-10-23(21)24-13-18(14-27(31)32)5-12-26(24)35-3/h5,8-13,15-16,19H,4,6-7,14,17H2,1-3H3,(H,31,32)
InChIKeyJELRQODXPDQHAN-UHFFFAOYSA-N
XLogP4.82
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid with MolForge

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Related Compounds

3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(pyridin-3-yloxy)methyl]phenyl}propanoicacid
CID 9982348
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10051189
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(2-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10480657
3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11178006
2-(4-cyclopropylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 24765206
AM432 sodium
CID 50901657
2-(2''-((N-ethylcyclopropanecarboxamido)methyl)-4''-(5-fluoropyridin-2-yl)-6-methoxybiphenyl-3-yl)acetic acid
CID 53321816
2-(2''-((N-ethylcyclopropanecarboxamido)methyl)-6-methoxy-4''-(5-methoxypyrimidin-2-yl)biphenyl-3-yl)acetic acid
CID 53323126
3-(4-{[1-(4-Ethylphenyl)-1H-pyrrol-2-yl]methoxy}-2,3-dimethylphenyl)propanoic acid
CID 90407037
(2S,3R)-3-cyclopropyl-3-[2-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 118637996
(2R,3R)-3-cyclopropyl-3-[2-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 118638001
(3S)-3-cyclopropyl-3-[2-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 118642384

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid (CID 57395680) is 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid is CCN(Cc1cc(-c2ccc(OC)cn2)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1.
What is the InChIKey of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid?
The InChIKey is JELRQODXPDQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-4-30(28(33)19-6-7-19)17-21-15-20(25-11-9-22(34-2)16-29-25)8-10-23(21)24-13-18(14-27(31)32)5-12-26(24)35-3/h5,8-13,15-16,19H,4,6-7,14,17H2,1-3H3,(H,31,32).
What are the key properties of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid?
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid has a molecular weight of 474.56 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(5-methoxy-2-pyridinyl)phenyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 57395680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).