2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide

C16H22N6O3S — CID 131927651

IUPAC2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cn1
InChIInChI=1S/C16H22N6O3S/c1-2-6-21-12-13(11-19-21)26(24,25)22-9-7-20(8-10-22)16-14(15(17)23)4-3-5-18-16/h3-5,11-12H,2,6-10H2,1H3,(H2,17,23)
InChIKeyVBVCUYVKIRIGHK-UHFFFAOYSA-N
MW378.46 g/mol
LogP0.30
Rot. Bonds6

About 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide

2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 131927651) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID131927651
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCCCn1cc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cn1
InChIInChI=1S/C16H22N6O3S/c1-2-6-21-12-13(11-19-21)26(24,25)22-9-7-20(8-10-22)16-14(15(17)23)4-3-5-18-16/h3-5,11-12H,2,6-10H2,1H3,(H2,17,23)
InChIKeyVBVCUYVKIRIGHK-UHFFFAOYSA-N
XLogP0.30
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide (CID 131927651) is 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide is CCCn1cc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cn1.
What is the InChIKey of 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is VBVCUYVKIRIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-2-6-21-12-13(11-19-21)26(24,25)22-9-7-20(8-10-22)16-14(15(17)23)4-3-5-18-16/h3-5,11-12H,2,6-10H2,1H3,(H2,17,23).
What are the key properties of 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131927651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).