2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid

C15H15N3O3 — CID 107338676

IUPAC2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid
SMILESNc1ccc(CC(=O)Nc2ccccc2CC(=O)O)nc1
InChIInChI=1S/C15H15N3O3/c16-11-5-6-12(17-9-11)8-14(19)18-13-4-2-1-3-10(13)7-15(20)21/h1-6,9H,7-8,16H2,(H,18,19)(H,20,21)
InChIKeyGABBKKNVISMKLC-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.47
Rot. Bonds5

About 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid

2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid (PubChem CID 107338676) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid
PubChem CID107338676
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid
SMILESNc1ccc(CC(=O)Nc2ccccc2CC(=O)O)nc1
InChIInChI=1S/C15H15N3O3/c16-11-5-6-12(17-9-11)8-14(19)18-13-4-2-1-3-10(13)7-15(20)21/h1-6,9H,7-8,16H2,(H,18,19)(H,20,21)
InChIKeyGABBKKNVISMKLC-UHFFFAOYSA-N
XLogP1.47
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 107338919
2-(5-amino-2-pyridinyl)-N-(2-chlorophenyl)acetamide
CID 107337448
2-(5-amino-2-pyridinyl)-N-[2-(ethoxymethyl)phenyl]acetamide
CID 107337699
2-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 107337820
2-(5-amino-2-pyridinyl)-N-(3-chloro-2-fluorophenyl)acetamide
CID 107337541
2-(5-amino-2-pyridinyl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 120639469
2-(5-amino-2-pyridinyl)-N-(2,6-diethylphenyl)acetamide
CID 107337372
2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 107337386
2-(5-amino-2-pyridinyl)-N-(1H-indazol-7-yl)acetamide
CID 107337853
2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 120617700
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
2-(5-amino-2-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 107337469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid (CID 107338676) is 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid is Nc1ccc(CC(=O)Nc2ccccc2CC(=O)O)nc1.
What is the InChIKey of 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is GABBKKNVISMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-11-5-6-12(17-9-11)8-14(19)18-13-4-2-1-3-10(13)7-15(20)21/h1-6,9H,7-8,16H2,(H,18,19)(H,20,21).
What are the key properties of 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid?
2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 107338676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).