benzyl N-(3-methyl-4-pyridinyl)carbamate

C14H14N2O2 — CID 130580947

IUPACbenzyl N-(3-methyl-4-pyridinyl)carbamate
SMILESCc1cnccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H14N2O2/c1-11-9-15-8-7-13(11)16-14(17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyPELRYOZWBOCQBG-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.14
Rot. Bonds3

About benzyl N-(3-methyl-4-pyridinyl)carbamate

benzyl N-(3-methyl-4-pyridinyl)carbamate (PubChem CID 130580947) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is benzyl N-(3-methyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-methyl-4-pyridinyl)carbamate
PubChem CID130580947
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namebenzyl N-(3-methyl-4-pyridinyl)carbamate
SMILESCc1cnccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H14N2O2/c1-11-9-15-8-7-13(11)16-14(17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyPELRYOZWBOCQBG-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
3-(4-methyl-3-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 103822530
benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992
2-anilino-N-(3-methyl-4-pyridinyl)acetamide
CID 63670867
benzyl N-[4-(3-methylcyclohexyl)-3-pyridinyl]carbamate
CID 123289925
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
CID 119049795

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-methyl-4-pyridinyl)carbamate?
The IUPAC name of benzyl N-(3-methyl-4-pyridinyl)carbamate (CID 130580947) is benzyl N-(3-methyl-4-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(3-methyl-4-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(3-methyl-4-pyridinyl)carbamate is Cc1cnccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-methyl-4-pyridinyl)carbamate?
The InChIKey is PELRYOZWBOCQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11-9-15-8-7-13(11)16-14(17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,15,16,17).
What are the key properties of benzyl N-(3-methyl-4-pyridinyl)carbamate?
benzyl N-(3-methyl-4-pyridinyl)carbamate has a molecular weight of 242.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-methyl-4-pyridinyl)carbamate is sourced from PubChem (CID 130580947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).