5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide

C18H21FN6O2 — CID 123243171

IUPAC5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
SMILESCC(=O)NC1CCCN(c2cnc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H21FN6O2/c1-11(26)22-14-3-2-8-25(10-14)15-9-21-16(17(20)27)18(24-15)23-13-6-4-12(19)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H2,20,27)(H,22,26)(H,23,24)
InChIKeyNLJRZMBVWMXSLY-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.56
Rot. Bonds5

About 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide

5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide (PubChem CID 123243171) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
PubChem CID123243171
Molecular FormulaC18H21FN6O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
SMILESCC(=O)NC1CCCN(c2cnc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H21FN6O2/c1-11(26)22-14-3-2-8-25(10-14)15-9-21-16(17(20)27)18(24-15)23-13-6-4-12(19)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H2,20,27)(H,22,26)(H,23,24)
InChIKeyNLJRZMBVWMXSLY-UHFFFAOYSA-N
XLogP1.56
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide (CID 123243171) is 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide is CC(=O)NC1CCCN(c2cnc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1.
What is the InChIKey of 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide?
The InChIKey is NLJRZMBVWMXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-11(26)22-14-3-2-8-25(10-14)15-9-21-16(17(20)27)18(24-15)23-13-6-4-12(19)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H2,20,27)(H,22,26)(H,23,24).
What are the key properties of 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide?
5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 123243171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).