2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid

C22H22N4O4 — CID 67497912

IUPAC2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid
SMILESCc1cc(-c2cnc(OCC(=O)O)c(NC(=O)C(N)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C22H22N4O4/c1-14-9-16(7-8-24-14)17-11-19(22(25-12-17)30-13-20(27)28)26-21(29)18(23)10-15-5-3-2-4-6-15/h2-9,11-12,18H,10,13,23H2,1H3,(H,26,29)(H,27,28)
InChIKeyNHDJJZJXPNJTJL-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.42
Rot. Bonds8

About 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid

2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid (PubChem CID 67497912) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid
PubChem CID67497912
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid
SMILESCc1cc(-c2cnc(OCC(=O)O)c(NC(=O)C(N)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C22H22N4O4/c1-14-9-16(7-8-24-14)17-11-19(22(25-12-17)30-13-20(27)28)26-21(29)18(23)10-15-5-3-2-4-6-15/h2-9,11-12,18H,10,13,23H2,1H3,(H,26,29)(H,27,28)
InChIKeyNHDJJZJXPNJTJL-UHFFFAOYSA-N
XLogP2.42
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid with MolForge

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Related Compounds

2-amino-N-[3-chloro-5-(2-methyl-4-pyridinyl)phenyl]-3-phenylpropanamide
CID 77303408
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
2-amino-N-[3-(2-methoxy-4-pyridinyl)-1-methylpyrazol-5-yl]-3-phenylpropanamide
CID 67496511
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
(2S)-2-amino-3-(4-fluorophenyl)-N-[1-methyl-3-(2-methyl-4-pyridinyl)pyrazol-5-yl]propanamide;2,2,2-trifluoroacetic acid
CID 131731689
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid (CID 67497912) is 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid is Cc1cc(-c2cnc(OCC(=O)O)c(NC(=O)C(N)Cc3ccccc3)c2)ccn1.
What is the InChIKey of 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid?
The InChIKey is NHDJJZJXPNJTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-9-16(7-8-24-14)17-11-19(22(25-12-17)30-13-20(27)28)26-21(29)18(23)10-15-5-3-2-4-6-15/h2-9,11-12,18H,10,13,23H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid?
2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid has a molecular weight of 406.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 67497912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).