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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800782
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide
CID 24856593
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide
CID 91368368
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-[(2R)-2-methoxypropoxy]pyrazine-2-carboxamide
CID 24856676
N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
CID 21109682
5-butoxy-N-(2-cyclopropyl-2-hydroxypropyl)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 91571801
N-[(2S)-3-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162119855
N-(2-cyclopropyl-2-hydroxypropyl)-6-(2,4-dichlorophenyl)-5-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 86616973
[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
CID 87579458
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
CID 21109677
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide
CID 21109676
6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 86616971

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).