2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid

C11H13ClN2O4 — CID 114036991

IUPAC2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
SMILESCc1cc(Cl)c(C(=O)NCCOCC(=O)O)cn1
InChIInChI=1S/C11H13ClN2O4/c1-7-4-9(12)8(5-14-7)11(17)13-2-3-18-6-10(15)16/h4-5H,2-3,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyCOTREVIGFZGQGS-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.87
Rot. Bonds6

About 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid

2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid (PubChem CID 114036991) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
PubChem CID114036991
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
SMILESCc1cc(Cl)c(C(=O)NCCOCC(=O)O)cn1
InChIInChI=1S/C11H13ClN2O4/c1-7-4-9(12)8(5-14-7)11(17)13-2-3-18-6-10(15)16/h4-5H,2-3,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyCOTREVIGFZGQGS-UHFFFAOYSA-N
XLogP0.87
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457991
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 114093375
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81226552
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid (CID 114036991) is 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid is Cc1cc(Cl)c(C(=O)NCCOCC(=O)O)cn1.
What is the InChIKey of 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is COTREVIGFZGQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-7-4-9(12)8(5-14-7)11(17)13-2-3-18-6-10(15)16/h4-5H,2-3,6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 272.69 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 114036991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).