2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide

C17H22N6O2 — CID 133442979

IUPAC2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1nccnc1N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C17H22N6O2/c1-12(2)25-17-16(20-6-7-21-17)23-10-8-22(9-11-23)15-13(14(18)24)4-3-5-19-15/h3-7,12H,8-11H2,1-2H3,(H2,18,24)
InChIKeyQLINTVPFPKOVFJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133442979) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133442979
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1nccnc1N1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C17H22N6O2/c1-12(2)25-17-16(20-6-7-21-17)23-10-8-22(9-11-23)15-13(14(18)24)4-3-5-19-15/h3-7,12H,8-11H2,1-2H3,(H2,18,24)
InChIKeyQLINTVPFPKOVFJ-UHFFFAOYSA-N
XLogP1.08
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide (CID 133442979) is 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide is CC(C)Oc1nccnc1N1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is QLINTVPFPKOVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12(2)25-17-16(20-6-7-21-17)23-10-8-22(9-11-23)15-13(14(18)24)4-3-5-19-15/h3-7,12H,8-11H2,1-2H3,(H2,18,24).
What are the key properties of 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133442979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).