methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate

C15H16N2O2 — CID 71064947

IUPACmethyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate
SMILESCCc1cc(-c2ccc(NC(=O)OC)cc2)ccn1
InChIInChI=1S/C15H16N2O2/c1-3-13-10-12(8-9-16-13)11-4-6-14(7-5-11)17-15(18)19-2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyIJODMAFTBNSXMO-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.49
Rot. Bonds3

About methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate

methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate (PubChem CID 71064947) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate
PubChem CID71064947
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate
SMILESCCc1cc(-c2ccc(NC(=O)OC)cc2)ccn1
InChIInChI=1S/C15H16N2O2/c1-3-13-10-12(8-9-16-13)11-4-6-14(7-5-11)17-15(18)19-2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyIJODMAFTBNSXMO-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate
CID 69154506
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
methyl N-[4-[3-[4-(methoxycarbonylamino)phenyl]-4-methylphenyl]phenyl]carbamate
CID 101217153
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
methyl N-[3-[2-(methylamino)-4-pyridinyl]phenyl]carbamate
CID 123674082
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
CID 47077529
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate (CID 71064947) is methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate is CCc1cc(-c2ccc(NC(=O)OC)cc2)ccn1.
What is the InChIKey of methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate?
The InChIKey is IJODMAFTBNSXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-13-10-12(8-9-16-13)11-4-6-14(7-5-11)17-15(18)19-2/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate?
methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate has a molecular weight of 256.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate is sourced from PubChem (CID 71064947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).