methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate

C22H27N3O4 — CID 170182461

IUPACmethyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate
SMILESCCOc1c(Nc2ncc(C3CC3)nc2C(=O)OC)cccc1C1CCOCC1
InChIInChI=1S/C22H27N3O4/c1-3-29-20-16(14-9-11-28-12-10-14)5-4-6-17(20)25-21-19(22(26)27-2)24-18(13-23-21)15-7-8-15/h4-6,13-15H,3,7-12H2,1-2H3,(H,23,25)
InChIKeyURNPWJWUGIMELV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.18
Rot. Bonds7

About methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate

methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate (PubChem CID 170182461) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate
PubChem CID170182461
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Namemethyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate
SMILESCCOc1c(Nc2ncc(C3CC3)nc2C(=O)OC)cccc1C1CCOCC1
InChIInChI=1S/C22H27N3O4/c1-3-29-20-16(14-9-11-28-12-10-14)5-4-6-17(20)25-21-19(22(26)27-2)24-18(13-23-21)15-7-8-15/h4-6,13-15H,3,7-12H2,1-2H3,(H,23,25)
InChIKeyURNPWJWUGIMELV-UHFFFAOYSA-N
XLogP4.18
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-3-[2-(hydroxymethoxy)-3-(oxan-4-yl)anilino]pyrazine-2-carboxylic acid
CID 170182505
methyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-ethoxyanilino]pyrazine-2-carboxylate
CID 170182475
methyl 6-cyclopropyl-3-[3-(5-methyl-3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyrazine-2-carboxylate
CID 156732849
methyl 3-[3-chloro-2-(1,2,2-trifluoroethoxy)anilino]-6-cyclopropylpyrazine-2-carboxylate
CID 175526003
tert-butyl 6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyanilino]pyrazine-2-carboxylate
CID 170182534
1-[6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(1,2,2-trifluoroethoxy)anilino]pyrazin-2-yl]ethanone
CID 175526009
6-cyclopropyl-3-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(1,2,2-trifluoroethoxy)anilino]-N-methylsulfonylpyrazine-2-carboxamide
CID 175526006
3-[3-(4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)anilino]-6-cyclopropylpyrazine-2-carboxylic acid
CID 162688588
methyl 2-cyclopropyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyridine-4-carboxylate
CID 170182553
methyl 5-cyclopropyl-3,4-dimethoxypyridine-2-carboxylate
CID 169292722
methyl 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoate
CID 118045986
methyl 3-methyl-4-(oxan-4-yl)benzoate
CID 163758903

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate (CID 170182461) is methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate is CCOc1c(Nc2ncc(C3CC3)nc2C(=O)OC)cccc1C1CCOCC1.
What is the InChIKey of methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate?
The InChIKey is URNPWJWUGIMELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-29-20-16(14-9-11-28-12-10-14)5-4-6-17(20)25-21-19(22(26)27-2)24-18(13-23-21)15-7-8-15/h4-6,13-15H,3,7-12H2,1-2H3,(H,23,25).
What are the key properties of methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate?
methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclopropyl-3-[2-ethoxy-3-(oxan-4-yl)anilino]pyrazine-2-carboxylate is sourced from PubChem (CID 170182461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).