5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide

C21H28N6O — CID 144857998

IUPAC5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)
InChIKeyVGSQWWPMYSJONU-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.78
Rot. Bonds5

About 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide

5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 144857998) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID144857998
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)
InChIKeyVGSQWWPMYSJONU-UHFFFAOYSA-N
XLogP2.78
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide (CID 144857998) is 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is VGSQWWPMYSJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26).
What are the key properties of 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide?
5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 144857998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).