2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid

C17H18N2O3 — CID 167855061

IUPAC2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid
SMILESCCc1cccc(C(=O)N(C)c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C17H18N2O3/c1-3-13-7-5-9-15(18-13)17(22)19(2)14-8-4-6-12(10-14)11-16(20)21/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyPTDIODGZFQLJFK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.55
Rot. Bonds5

About 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid

2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid (PubChem CID 167855061) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid
PubChem CID167855061
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid
SMILESCCc1cccc(C(=O)N(C)c2cccc(CC(=O)O)c2)n1
InChIInChI=1S/C17H18N2O3/c1-3-13-7-5-9-15(18-13)17(22)19(2)14-8-4-6-12(10-14)11-16(20)21/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyPTDIODGZFQLJFK-UHFFFAOYSA-N
XLogP2.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90124245
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CID 21387814
2-[3-(N-phenylanilino)phenyl]acetic acid
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2-[1-[4-(dimethylamino)phenyl]-3-ethylisoquinolin-5-yl]acetic acid
CID 20533880
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-(6-ethyl-2-pyridinyl)-N-methylacetamide
CID 138536705
N-(3-aminophenyl)-N,6-dimethylpyridine-2-carboxamide
CID 61297130
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
N-(4-ethylphenyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248939
ethane;N-(3-ethylphenyl)-N-methylbutanamide
CID 143587868

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid (CID 167855061) is 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid is CCc1cccc(C(=O)N(C)c2cccc(CC(=O)O)c2)n1.
What is the InChIKey of 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid?
The InChIKey is PTDIODGZFQLJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-13-7-5-9-15(18-13)17(22)19(2)14-8-4-6-12(10-14)11-16(20)21/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid?
2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid has a molecular weight of 298.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-ethylpyridine-2-carbonyl)-methylamino]phenyl]acetic acid is sourced from PubChem (CID 167855061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).