[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate

C18H27N3O4 — CID 122684663

IUPAC[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)[C@](C)(CO)NC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C18H27N3O4/c1-11(2)18(3,10-22)21-17(23)25-14-8-19-15(13-6-7-13)16(20-14)24-9-12-4-5-12/h8,11-13,22H,4-7,9-10H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyOOJTVYLALSYXNE-SFHVURJKSA-N
MW349.43 g/mol
LogP2.64
Rot. Bonds8

About [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate

[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate (PubChem CID 122684663) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate
PubChem CID122684663
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate
SMILESCC(C)[C@](C)(CO)NC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C18H27N3O4/c1-11(2)18(3,10-22)21-17(23)25-14-8-19-15(13-6-7-13)16(20-14)24-9-12-4-5-12/h8,11-13,22H,4-7,9-10H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyOOJTVYLALSYXNE-SFHVURJKSA-N
XLogP2.64
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate with MolForge

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Related Compounds

[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 122684604
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3,3-dimethylbutanoate
CID 71525400
5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
CID 86682331
4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide
CID 129418432
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 71525670
N-[2-(5-amino-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
CID 71526128
[5-cyclopentyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347302
[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate
CID 68569946
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347234
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl] N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]carbamate
CID 122684595
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
CID 78098470

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate (CID 122684663) is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate is CC(C)[C@](C)(CO)NC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate?
The InChIKey is OOJTVYLALSYXNE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11(2)18(3,10-22)21-17(23)25-14-8-19-15(13-6-7-13)16(20-14)24-9-12-4-5-12/h8,11-13,22H,4-7,9-10H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate?
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 122684663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).