3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide

C18H25FN4O2 — CID 142890989

IUPAC3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide
SMILESCCCCCCNCc1ccc(OC2=NC=C(C(N)=O)NC2)c(F)c1
InChIInChI=1S/C18H25FN4O2/c1-2-3-4-5-8-21-10-13-6-7-16(14(19)9-13)25-17-12-22-15(11-23-17)18(20)24/h6-7,9,11,21-22H,2-5,8,10,12H2,1H3,(H2,20,24)
InChIKeyGOWXGEBOBUEVOX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.20
Rot. Bonds9

About 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide

3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide (PubChem CID 142890989) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide
PubChem CID142890989
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide
SMILESCCCCCCNCc1ccc(OC2=NC=C(C(N)=O)NC2)c(F)c1
InChIInChI=1S/C18H25FN4O2/c1-2-3-4-5-8-21-10-13-6-7-16(14(19)9-13)25-17-12-22-15(11-23-17)18(20)24/h6-7,9,11,21-22H,2-5,8,10,12H2,1H3,(H2,20,24)
InChIKeyGOWXGEBOBUEVOX-UHFFFAOYSA-N
XLogP2.20
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-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

5-[2-fluoro-4-[(hexylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730293
5-[2-methyl-4-[(octylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 142876363
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
N-[(4-bromo-3-fluorophenyl)methyl]hexan-1-amine
CID 81436257
5-[(4-ethoxy-3-fluorophenyl)methylamino]pentanoic acid
CID 115219038
5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 59730177
ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine
CID 163299315
6-[4-[(hexylamino)methyl]-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid
CID 87560034
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
4-[(4-ethoxy-3-fluorophenyl)methylamino]butanoic acid
CID 115218613
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide?
The IUPAC name of 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide (CID 142890989) is 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide.
What is the SMILES notation for 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide?
The canonical SMILES for 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide is CCCCCCNCc1ccc(OC2=NC=C(C(N)=O)NC2)c(F)c1.
What is the InChIKey of 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide?
The InChIKey is GOWXGEBOBUEVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-2-3-4-5-8-21-10-13-6-7-16(14(19)9-13)25-17-12-22-15(11-23-17)18(20)24/h6-7,9,11,21-22H,2-5,8,10,12H2,1H3,(H2,20,24).
What are the key properties of 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide?
3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[(hexylamino)methyl]phenoxy]-1,2-dihydropyrazine-6-carboxamide is sourced from PubChem (CID 142890989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).