methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate

C16H17ClN2O3 — CID 139811079

IUPACmethyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(C)nc2Cl)cc1C
InChIInChI=1S/C16H17ClN2O3/c1-10-8-13(6-7-14(10)19-16(20)21-3)22-9-12-5-4-11(2)18-15(12)17/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyXZCMEOVPYJUQEG-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.11
Rot. Bonds4

About methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate

methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate (PubChem CID 139811079) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
PubChem CID139811079
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Namemethyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(C)nc2Cl)cc1C
InChIInChI=1S/C16H17ClN2O3/c1-10-8-13(6-7-14(10)19-16(20)21-3)22-9-12-5-4-11(2)18-15(12)17/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyXZCMEOVPYJUQEG-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate (CID 139811079) is methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate is COC(=O)Nc1ccc(OCc2ccc(C)nc2Cl)cc1C.
What is the InChIKey of methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The InChIKey is XZCMEOVPYJUQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10-8-13(6-7-14(10)19-16(20)21-3)22-9-12-5-4-11(2)18-15(12)17/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate?
methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate has a molecular weight of 320.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-chloro-6-methyl-3-pyridinyl)methoxy]-2-methylphenyl]carbamate is sourced from PubChem (CID 139811079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).