phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate

C16H16N2O4 — CID 19357047

IUPACphenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate
SMILESCOc1nc(C)c(C(C)=O)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-10-13(11(2)19)9-14(15(17-10)21-3)18-16(20)22-12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,20)
InChIKeyMRPBXRQJYYUEFG-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.21
Rot. Bonds4

About phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate

phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate (PubChem CID 19357047) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate
PubChem CID19357047
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namephenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate
SMILESCOc1nc(C)c(C(C)=O)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-10-13(11(2)19)9-14(15(17-10)21-3)18-16(20)22-12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,20)
InChIKeyMRPBXRQJYYUEFG-UHFFFAOYSA-N
XLogP3.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(2-ethoxy-5-ethyl-6-methyl-3-pyridinyl)carbamate
CID 18663163
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
4-methyl-5-(phenoxycarbonylamino)phthalic acid
CID 67543732
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775
phenyl N-(2,6-dimethylquinolin-3-yl)carbamate
CID 155691129
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
CID 67824669
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949
phenyl N-[7-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)heptyl]carbamate
CID 139808372
phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate
CID 142700547
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate?
The IUPAC name of phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate (CID 19357047) is phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate is COc1nc(C)c(C(C)=O)cc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate?
The InChIKey is MRPBXRQJYYUEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-13(11(2)19)9-14(15(17-10)21-3)18-16(20)22-12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,20).
What are the key properties of phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate?
phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate has a molecular weight of 300.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 19357047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).