N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide

C21H26FN3O4 — CID 24856593

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide
SMILESCOCCCOc1ncc(C(=O)NCC(C)(O)C2CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O4/c1-21(27,15-6-7-15)13-24-19(26)17-12-23-20(29-11-3-10-28-2)18(25-17)14-4-8-16(22)9-5-14/h4-5,8-9,12,15,27H,3,6-7,10-11,13H2,1-2H3,(H,24,26)
InChIKeyKLPJFERTVKNRCG-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.59
Rot. Bonds10

About N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide (PubChem CID 24856593) has the molecular formula C21H26FN3O4 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide
PubChem CID24856593
Molecular FormulaC21H26FN3O4
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide
SMILESCOCCCOc1ncc(C(=O)NCC(C)(O)C2CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O4/c1-21(27,15-6-7-15)13-24-19(26)17-12-23-20(29-11-3-10-28-2)18(25-17)14-4-8-16(22)9-5-14/h4-5,8-9,12,15,27H,3,6-7,10-11,13H2,1-2H3,(H,24,26)
InChIKeyKLPJFERTVKNRCG-UHFFFAOYSA-N
XLogP2.59
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-[(2R)-2-methoxypropoxy]pyrazine-2-carboxamide
CID 24856676
5-butoxy-N-(2-cyclopropyl-2-hydroxypropyl)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 91571801
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide
CID 91368368
N-(2-cyclopropyl-2-hydroxypropyl)-6-(2,4-dichlorophenyl)-5-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 86616973
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800782
N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
CID 21109682
N-[(2S)-3-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162119855
[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
N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 160897886

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide (CID 24856593) is N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide is COCCCOc1ncc(C(=O)NCC(C)(O)C2CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide?
The InChIKey is KLPJFERTVKNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4/c1-21(27,15-6-7-15)13-24-19(26)17-12-23-20(29-11-3-10-28-2)18(25-17)14-4-8-16(22)9-5-14/h4-5,8-9,12,15,27H,3,6-7,10-11,13H2,1-2H3,(H,24,26).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 24856593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).