2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid

C14H18N2O4 — CID 103161966

IUPAC2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
SMILESCCOC1CC(CC(=O)Nc2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C14H18N2O4/c1-2-20-11-5-9(6-11)7-13(17)16-12-8-10(14(18)19)3-4-15-12/h3-4,8-9,11H,2,5-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyDHAHRIAWRNOQLF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.92
Rot. Bonds6

About 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid

2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid (PubChem CID 103161966) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
PubChem CID103161966
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
SMILESCCOC1CC(CC(=O)Nc2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C14H18N2O4/c1-2-20-11-5-9(6-11)7-13(17)16-12-8-10(14(18)19)3-4-15-12/h3-4,8-9,11H,2,5-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyDHAHRIAWRNOQLF-UHFFFAOYSA-N
XLogP1.92
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164854
N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 114052575
N-(5-chloropyrazin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 107595662
5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103161729
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
CID 103161737
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
CID 115273439
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103279698
N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
N-(5-bromo-2-cyanophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103278055

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid (CID 103161966) is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid is CCOC1CC(CC(=O)Nc2cc(C(=O)O)ccn2)C1.
What is the InChIKey of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid?
The InChIKey is DHAHRIAWRNOQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-11-5-9(6-11)7-13(17)16-12-8-10(14(18)19)3-4-15-12/h3-4,8-9,11H,2,5-7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid?
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 103161966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).