[6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate

C18H17ClN4O2 — CID 122684634

IUPAC[6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate
SMILESCC(C)(C#N)NC(=O)Oc1cnc(C2CC2)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O2/c1-18(2,10-20)23-17(24)25-14-9-21-15(11-6-7-11)16(22-14)12-4-3-5-13(19)8-12/h3-5,8-9,11H,6-7H2,1-2H3,(H,23,24)
InChIKeyKAPBMOVMZVQMHB-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.06
Rot. Bonds4

About [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate

[6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate (PubChem CID 122684634) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate
PubChem CID122684634
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name[6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate
SMILESCC(C)(C#N)NC(=O)Oc1cnc(C2CC2)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H17ClN4O2/c1-18(2,10-20)23-17(24)25-14-9-21-15(11-6-7-11)16(22-14)12-4-3-5-13(19)8-12/h3-5,8-9,11H,6-7H2,1-2H3,(H,23,24)
InChIKeyKAPBMOVMZVQMHB-UHFFFAOYSA-N
XLogP4.06
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate?
The IUPAC name of [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate (CID 122684634) is [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate.
What is the SMILES notation for [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate?
The canonical SMILES for [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate is CC(C)(C#N)NC(=O)Oc1cnc(C2CC2)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate?
The InChIKey is KAPBMOVMZVQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-18(2,10-20)23-17(24)25-14-9-21-15(11-6-7-11)16(22-14)12-4-3-5-13(19)8-12/h3-5,8-9,11H,6-7H2,1-2H3,(H,23,24).
What are the key properties of [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate?
[6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate has a molecular weight of 356.81 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-5-cyclopropylpyrazin-2-yl] N-(2-cyanopropan-2-yl)carbamate is sourced from PubChem (CID 122684634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).