N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide

C21H24FN3O3 — CID 24800607

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C21H24FN3O3/c1-21(27,15-6-7-15)12-24-19(26)17-10-23-20(28-11-13-2-3-13)18(25-17)14-4-8-16(22)9-5-14/h4-5,8-10,13,15,27H,2-3,6-7,11-12H2,1H3,(H,24,26)
InChIKeySBNWDBVTLLEMIR-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.96
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 24800607) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
PubChem CID24800607
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C21H24FN3O3/c1-21(27,15-6-7-15)12-24-19(26)17-10-23-20(28-11-13-2-3-13)18(25-17)14-4-8-16(22)9-5-14/h4-5,8-10,13,15,27H,2-3,6-7,11-12H2,1H3,(H,24,26)
InChIKeySBNWDBVTLLEMIR-UHFFFAOYSA-N
XLogP2.96
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide (CID 24800607) is N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide is CC(O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is SBNWDBVTLLEMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-21(27,15-6-7-15)12-24-19(26)17-10-23-20(28-11-13-2-3-13)18(25-17)14-4-8-16(22)9-5-14/h4-5,8-10,13,15,27H,2-3,6-7,11-12H2,1H3,(H,24,26).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 24800607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).