pyridin-4-ylmethyl N-propan-2-ylcarbamate

C10H14N2O2 — CID 20999

IUPACpyridin-4-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1ccncc1
InChIInChI=1S/C10H14N2O2/c1-8(2)12-10(13)14-7-9-3-5-11-6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyIQQBQWVYJDCUEB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.72
Rot. Bonds3

About pyridin-4-ylmethyl N-propan-2-ylcarbamate

pyridin-4-ylmethyl N-propan-2-ylcarbamate (PubChem CID 20999) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-propan-2-ylcarbamate
PubChem CID20999
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namepyridin-4-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1ccncc1
InChIInChI=1S/C10H14N2O2/c1-8(2)12-10(13)14-7-9-3-5-11-6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyIQQBQWVYJDCUEB-UHFFFAOYSA-N
XLogP1.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pyridin-4-ylmethyl N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Pyridyl)-1,3,4-oxadiazol-5-one
CID 312924
benzyl N-pyridin-3-ylcarbamate
CID 4323589
4-Methylbenzyl (3-pyridinylmethyl)carbamate
CID 1500306
pyridin-3-ylmethyl N-[(Z)-heptadec-8-enyl]carbamate
CID 71770553
4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate
CID 901058
Benzyl pyridin-4-ylcarbamate
CID 4323925
CARBANILIC ACID, p-METHYL-, 4-PYRIDYLMETHYL ESTER
CID 21000
Acetic acid cyclohexylcarbamoyl-pyridin-4-yl-methyl ester
CID 646374
Pyridin-4-ylmethyl 4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidine-1-carboxylate
CID 130453517
CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER
CID 21001
4-[(tert-Butoxycarbonylamino)methyl]pyridine
CID 1512532
4-Pyridinemethanol, 4-acetate
CID 70511

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-propan-2-ylcarbamate?
The IUPAC name of pyridin-4-ylmethyl N-propan-2-ylcarbamate (CID 20999) is pyridin-4-ylmethyl N-propan-2-ylcarbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-propan-2-ylcarbamate?
The canonical SMILES for pyridin-4-ylmethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethyl N-propan-2-ylcarbamate?
The InChIKey is IQQBQWVYJDCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)12-10(13)14-7-9-3-5-11-6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of pyridin-4-ylmethyl N-propan-2-ylcarbamate?
pyridin-4-ylmethyl N-propan-2-ylcarbamate has a molecular weight of 194.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 20999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).