2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid

C12H16N2O4 — CID 104759073

IUPAC2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)OCCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(2)18-7-6-14-11(15)10-9(12(16)17)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYEDFMGWAOBJQQE-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.93
Rot. Bonds6

About 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid

2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 104759073) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID104759073
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)OCCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(2)18-7-6-14-11(15)10-9(12(16)17)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYEDFMGWAOBJQQE-UHFFFAOYSA-N
XLogP0.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.93
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

2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid (CID 104759073) is 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid is CC(C)OCCNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is YEDFMGWAOBJQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(2)18-7-6-14-11(15)10-9(12(16)17)4-3-5-13-10/h3-5,8H,6-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid?
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 104759073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).