methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate

C22H29N3O2 — CID 118343112

IUPACmethyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate
SMILESCCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)OC)cn1
InChIInChI=1S/C22H29N3O2/c1-7-25(19-14-23-18(13-24-19)20(26)27-6)15-8-9-16-17(12-15)22(4,5)11-10-21(16,2)3/h8-9,12-14H,7,10-11H2,1-6H3
InChIKeyOLCHGDGPPXZRPW-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.77
Rot. Bonds4

About methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate

methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate (PubChem CID 118343112) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate
PubChem CID118343112
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Namemethyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate
SMILESCCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)OC)cn1
InChIInChI=1S/C22H29N3O2/c1-7-25(19-14-23-18(13-24-19)20(26)27-6)15-8-9-16-17(12-15)22(4,5)11-10-21(16,2)3/h8-9,12-14H,7,10-11H2,1-6H3
InChIKeyOLCHGDGPPXZRPW-UHFFFAOYSA-N
XLogP4.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate with MolForge

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Related Compounds

N-ethyl-5-methyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-amine;methane;4-[1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)ethenyl]benzoic acid
CID 161270562
(E)-3-[4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]prop-2-enoic acid
CID 52933743
methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114059804
4-[propyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10690215
5-(N-ethylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109291797
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
6-[(8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)-ethylamino]pyridine-3-carboxylic acid
CID 10177699
methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 114059734
methyl 5-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114059762
N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine
CID 10713006
methyl 6-(N-ethyl-4-fluoroanilino)pyrazine-2-carboxylate
CID 66451088
methyl 2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate
CID 162247596

Frequently Asked Questions

What is the IUPAC name of methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate (CID 118343112) is methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate is CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate?
The InChIKey is OLCHGDGPPXZRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-7-25(19-14-23-18(13-24-19)20(26)27-6)15-8-9-16-17(12-15)22(4,5)11-10-21(16,2)3/h8-9,12-14H,7,10-11H2,1-6H3.
What are the key properties of methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate?
methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 118343112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).