phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate

C16H17ClN2O3 — CID 155202125

IUPACphenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate
SMILESCOC(C)c1c(NC(=O)Oc2ccccc2)cnc(C)c1Cl
InChIInChI=1S/C16H17ClN2O3/c1-10-15(17)14(11(2)21-3)13(9-18-10)19-16(20)22-12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H,19,20)
InChIKeyHDSWNTZVLHKAGS-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.36
Rot. Bonds4

About phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate

phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate (PubChem CID 155202125) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate
PubChem CID155202125
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Namephenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate
SMILESCOC(C)c1c(NC(=O)Oc2ccccc2)cnc(C)c1Cl
InChIInChI=1S/C16H17ClN2O3/c1-10-15(17)14(11(2)21-3)13(9-18-10)19-16(20)22-12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H,19,20)
InChIKeyHDSWNTZVLHKAGS-UHFFFAOYSA-N
XLogP4.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate (CID 155202125) is phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate is COC(C)c1c(NC(=O)Oc2ccccc2)cnc(C)c1Cl.
What is the InChIKey of phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate?
The InChIKey is HDSWNTZVLHKAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-15(17)14(11(2)21-3)13(9-18-10)19-16(20)22-12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H,19,20).
What are the key properties of phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate?
phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate has a molecular weight of 320.78 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-chloro-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 155202125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).