methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate

C15H17N3O3 — CID 139811034

IUPACmethyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cnc(C)cn2)cc1C
InChIInChI=1S/C15H17N3O3/c1-10-6-13(4-5-14(10)18-15(19)20-3)21-9-12-8-16-11(2)7-17-12/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyIKYAKNVJJZINIU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.85
Rot. Bonds4

About methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate

methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate (PubChem CID 139811034) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate
PubChem CID139811034
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2cnc(C)cn2)cc1C
InChIInChI=1S/C15H17N3O3/c1-10-6-13(4-5-14(10)18-15(19)20-3)21-9-12-8-16-11(2)7-17-12/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyIKYAKNVJJZINIU-UHFFFAOYSA-N
XLogP2.85
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139811023
methyl N-[4-[(5-ethyl-2-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139810973
methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811113
methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
CID 139811024
methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811030
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
methyl N-[2-methyl-4-[[3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazol-5-yl]methoxy]phenyl]carbamate
CID 139810981
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
2-methyl-5-[(4-nitrophenoxy)methyl]pyrazine
CID 162519984
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate (CID 139811034) is methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2cnc(C)cn2)cc1C.
What is the InChIKey of methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate?
The InChIKey is IKYAKNVJJZINIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-6-13(4-5-14(10)18-15(19)20-3)21-9-12-8-16-11(2)7-17-12/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate?
methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 139811034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).