2-(pyridin-4-ylmethoxy)ethylcarbamic acid

C9H12N2O3 — CID 69184657

IUPAC2-(pyridin-4-ylmethoxy)ethylcarbamic acid
SMILESO=C(O)NCCOCc1ccncc1
InChIInChI=1S/C9H12N2O3/c12-9(13)11-5-6-14-7-8-1-3-10-4-2-8/h1-4,11H,5-7H2,(H,12,13)
InChIKeyHDVRBHPWEBXEAN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.87
Rot. Bonds5

About 2-(pyridin-4-ylmethoxy)ethylcarbamic acid

2-(pyridin-4-ylmethoxy)ethylcarbamic acid (PubChem CID 69184657) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethoxy)ethylcarbamic acid.

Molecular Properties

Compound Name2-(pyridin-4-ylmethoxy)ethylcarbamic acid
PubChem CID69184657
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(pyridin-4-ylmethoxy)ethylcarbamic acid
SMILESO=C(O)NCCOCc1ccncc1
InChIInChI=1S/C9H12N2O3/c12-9(13)11-5-6-14-7-8-1-3-10-4-2-8/h1-4,11H,5-7H2,(H,12,13)
InChIKeyHDVRBHPWEBXEAN-UHFFFAOYSA-N
XLogP0.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
CID 59757640
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
CID 23312308
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
CID 71865584
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
CID 119051213
N-(2-phenylmethoxyethylcarbamoyl)-N-sulfanylbenzamide
CID 57253110
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethoxy)ethylcarbamic acid?
The IUPAC name of 2-(pyridin-4-ylmethoxy)ethylcarbamic acid (CID 69184657) is 2-(pyridin-4-ylmethoxy)ethylcarbamic acid.
What is the SMILES notation for 2-(pyridin-4-ylmethoxy)ethylcarbamic acid?
The canonical SMILES for 2-(pyridin-4-ylmethoxy)ethylcarbamic acid is O=C(O)NCCOCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethoxy)ethylcarbamic acid?
The InChIKey is HDVRBHPWEBXEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-9(13)11-5-6-14-7-8-1-3-10-4-2-8/h1-4,11H,5-7H2,(H,12,13).
What are the key properties of 2-(pyridin-4-ylmethoxy)ethylcarbamic acid?
2-(pyridin-4-ylmethoxy)ethylcarbamic acid has a molecular weight of 196.21 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethoxy)ethylcarbamic acid is sourced from PubChem (CID 69184657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).