2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid

C14H19ClN2O4 — CID 120529873

IUPAC2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
SMILESCCOc1ncc(C(=O)N(CC(=O)O)C(C)CC)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-9(3)17(8-12(18)19)14(20)10-6-11(15)13(16-7-10)21-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyFQZIVDUXASFVJI-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.46
Rot. Bonds7

About 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid

2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid (PubChem CID 120529873) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
PubChem CID120529873
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid
SMILESCCOc1ncc(C(=O)N(CC(=O)O)C(C)CC)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-9(3)17(8-12(18)19)14(20)10-6-11(15)13(16-7-10)21-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyFQZIVDUXASFVJI-UHFFFAOYSA-N
XLogP2.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-6-ethoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 120517194
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 115755678
2-[butan-2-yl-(3,4,5-trichloropyridine-2-carbonyl)amino]acetic acid
CID 60827580
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
2-[butan-2-yl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 119955341
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 111596458
N-butan-2-yl-5-chloro-N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 62243923
5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 111663052
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid (CID 120529873) is 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid is CCOc1ncc(C(=O)N(CC(=O)O)C(C)CC)cc1Cl.
What is the InChIKey of 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid?
The InChIKey is FQZIVDUXASFVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-9(3)17(8-12(18)19)14(20)10-6-11(15)13(16-7-10)21-5-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid has a molecular weight of 314.77 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(5-chloro-6-ethoxypyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 120529873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).