2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C21H26N2O5 — CID 120533722

IUPAC2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCOc1ccc(-c2cncc(C(=O)NC(CCOC(C)(C)C)C(=O)O)c2)cc1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)28-10-9-18(20(25)26)23-19(24)16-11-15(12-22-13-16)14-5-7-17(27-4)8-6-14/h5-8,11-13,18H,9-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyYJRVAMVOECRLOI-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.15
Rot. Bonds8

About 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120533722) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120533722
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCOc1ccc(-c2cncc(C(=O)NC(CCOC(C)(C)C)C(=O)O)c2)cc1
InChIInChI=1S/C21H26N2O5/c1-21(2,3)28-10-9-18(20(25)26)23-19(24)16-11-15(12-22-13-16)14-5-7-17(27-4)8-6-14/h5-8,11-13,18H,9-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyYJRVAMVOECRLOI-UHFFFAOYSA-N
XLogP3.15
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533637
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533670
2-[[3-(furan-3-yl)benzoyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533658
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
CID 119598143
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(4-chloro-3-fluorobenzoyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533737
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
2-[(4-methoxybenzoyl)amino]pentanedioic acid
CID 23136259

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120533722) is 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is COc1ccc(-c2cncc(C(=O)NC(CCOC(C)(C)C)C(=O)O)c2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is YJRVAMVOECRLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-21(2,3)28-10-9-18(20(25)26)23-19(24)16-11-15(12-22-13-16)14-5-7-17(27-4)8-6-14/h5-8,11-13,18H,9-10H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 386.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120533722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).