5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide

C17H21FN4O2 — CID 10314690

IUPAC5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCCCCCNCc1ccc(Oc2cnc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C17H21FN4O2/c1-2-3-4-7-20-9-12-5-6-15(13(18)8-12)24-16-11-21-14(10-22-16)17(19)23/h5-6,8,10-11,20H,2-4,7,9H2,1H3,(H2,19,23)
InChIKeyNYFIRDWZRSBSFQ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.79
Rot. Bonds9

About 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide

5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide (PubChem CID 10314690) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide
PubChem CID10314690
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESCCCCCNCc1ccc(Oc2cnc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C17H21FN4O2/c1-2-3-4-7-20-9-12-5-6-15(13(18)8-12)24-16-11-21-14(10-22-16)17(19)23/h5-6,8,10-11,20H,2-4,7,9H2,1H3,(H2,19,23)
InChIKeyNYFIRDWZRSBSFQ-UHFFFAOYSA-N
XLogP2.79
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide (CID 10314690) is 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide is CCCCCNCc1ccc(Oc2cnc(C(N)=O)cn2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The InChIKey is NYFIRDWZRSBSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-3-4-7-20-9-12-5-6-15(13(18)8-12)24-16-11-21-14(10-22-16)17(19)23/h5-6,8,10-11,20H,2-4,7,9H2,1H3,(H2,19,23).
What are the key properties of 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide?
5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[(pentylamino)methyl]phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 10314690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).