tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate

C17H21N3O2 — CID 142130299

IUPACtert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate
SMILESCc1cccc(N(C(=O)OC(C)(C)C)c2cncc(C)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-7-6-8-14(9-12)20(16(21)22-17(3,4)5)15-11-18-10-13(2)19-15/h6-11H,1-5H3
InChIKeyAGKOVIBAZUPUSV-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.17
Rot. Bonds2

About tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate

tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate (PubChem CID 142130299) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate
PubChem CID142130299
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate
SMILESCc1cccc(N(C(=O)OC(C)(C)C)c2cncc(C)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-7-6-8-14(9-12)20(16(21)22-17(3,4)5)15-11-18-10-13(2)19-15/h6-11H,1-5H3
InChIKeyAGKOVIBAZUPUSV-UHFFFAOYSA-N
XLogP4.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-iodophenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 53414515
tert-butyl N-(3-chlorophenyl)-N-[6-(2-iodo-1,3-oxazol-5-yl)pyrazin-2-yl]carbamate
CID 11488891
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
methyl 4-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-2-carboxylate
CID 21300365
[4-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]-3-pyridinyl] trifluoromethanesulfonate
CID 21300379
methyl 5-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]-6-cyanopyridine-3-carboxylate
CID 71048864
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate
CID 70074555
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
ethyl 5-[6-[3-chloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrimidin-4-yl]pyridine-3-carboxylate
CID 10139077
N-(3-methylphenyl)-N-pyridin-3-ylacetamide
CID 20820139
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate (CID 142130299) is tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate is Cc1cccc(N(C(=O)OC(C)(C)C)c2cncc(C)n2)c1.
What is the InChIKey of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
The InChIKey is AGKOVIBAZUPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-7-6-8-14(9-12)20(16(21)22-17(3,4)5)15-11-18-10-13(2)19-15/h6-11H,1-5H3.
What are the key properties of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate is sourced from PubChem (CID 142130299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).