benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate

C15H16N2O3 — CID 130157687

IUPACbenzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
SMILESCCn1cc(NC(=O)OCc2ccccc2)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-2-17-10-13(8-9-14(17)18)16-15(19)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,16,19)
InChIKeySOXAJXZYYJSASP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.62
Rot. Bonds4

About benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate

benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate (PubChem CID 130157687) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
PubChem CID130157687
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namebenzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
SMILESCCn1cc(NC(=O)OCc2ccccc2)ccc1=O
InChIInChI=1S/C15H16N2O3/c1-2-17-10-13(8-9-14(17)18)16-15(19)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,16,19)
InChIKeySOXAJXZYYJSASP-UHFFFAOYSA-N
XLogP2.62
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
benzyl N-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)carbamate
CID 110734959
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
N-(1-ethyl-6-oxo-3-pyridinyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 146323423
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
The IUPAC name of benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate (CID 130157687) is benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate is CCn1cc(NC(=O)OCc2ccccc2)ccc1=O.
What is the InChIKey of benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
The InChIKey is SOXAJXZYYJSASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-17-10-13(8-9-14(17)18)16-15(19)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,16,19).
What are the key properties of benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate?
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate has a molecular weight of 272.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate is sourced from PubChem (CID 130157687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).