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

C16H17ClN2O4 — CID 139811030

IUPACmethyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cc(Cl)nc(OC)c2)cc1C
InChIInChI=1S/C16H17ClN2O4/c1-10-6-12(4-5-13(10)18-16(20)22-3)23-9-11-7-14(17)19-15(8-11)21-2/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyROJQOHYEDZHQEV-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.81
Rot. Bonds5

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

methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate (PubChem CID 139811030) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate
PubChem CID139811030
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Namemethyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cc(Cl)nc(OC)c2)cc1C
InChIInChI=1S/C16H17ClN2O4/c1-10-6-12(4-5-13(10)18-16(20)22-3)23-9-11-7-14(17)19-15(8-11)21-2/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyROJQOHYEDZHQEV-UHFFFAOYSA-N
XLogP3.81
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811113
methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139811023
methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate
CID 139811034
methyl N-[4-[(5-ethyl-2-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139810973
methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
CID 139811024
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate
CID 139811068
methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139810963
2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea
CID 51088888
2-amino-6-chloro-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 62872287

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate (CID 139811030) is methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate is COC(=O)Nc1ccc(OCc2cc(Cl)nc(OC)c2)cc1C.
What is the InChIKey of methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate?
The InChIKey is ROJQOHYEDZHQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-10-6-12(4-5-13(10)18-16(20)22-3)23-9-11-7-14(17)19-15(8-11)21-2/h4-8H,9H2,1-3H3,(H,18,20).
What are the key properties of methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate?
methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate has a molecular weight of 336.78 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate is sourced from PubChem (CID 139811030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).