2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid

C15H16N2O2 — CID 171813529

IUPAC2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid
SMILESCc1ccc(-c2ccc(C)c(NCC(=O)O)c2)nc1
InChIInChI=1S/C15H16N2O2/c1-10-3-6-13(16-8-10)12-5-4-11(2)14(7-12)17-9-15(18)19/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyHUKNBXZJWAEEMX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.86
Rot. Bonds4

About 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid

2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid (PubChem CID 171813529) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid
PubChem CID171813529
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid
SMILESCc1ccc(-c2ccc(C)c(NCC(=O)O)c2)nc1
InChIInChI=1S/C15H16N2O2/c1-10-3-6-13(16-8-10)12-5-4-11(2)14(7-12)17-9-15(18)19/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyHUKNBXZJWAEEMX-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
3-(2-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzoic acid;hydrochloride
CID 170985256
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone
CID 171813756
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
2-[(6-methylcinnolin-4-yl)amino]acetic acid
CID 58562624
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587112

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid?
The IUPAC name of 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid (CID 171813529) is 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid?
The canonical SMILES for 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid is Cc1ccc(-c2ccc(C)c(NCC(=O)O)c2)nc1.
What is the InChIKey of 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid?
The InChIKey is HUKNBXZJWAEEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-3-6-13(16-8-10)12-5-4-11(2)14(7-12)17-9-15(18)19/h3-8,17H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid?
2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid is sourced from PubChem (CID 171813529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).