N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide

C16H20N4O4S — CID 56954305

IUPACN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cn1
InChIInChI=1S/C16H20N4O4S/c1-2-15(21)18-14-6-5-13(11-17-14)25(23,24)20-9-7-19(8-10-20)16(22)12-3-4-12/h2,5-6,11-12H,1,3-4,7-10H2,(H,17,18,21)
InChIKeyXNKJXVISIPHXEU-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.45
Rot. Bonds5

About N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide (PubChem CID 56954305) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide
PubChem CID56954305
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cn1
InChIInChI=1S/C16H20N4O4S/c1-2-15(21)18-14-6-5-13(11-17-14)25(23,24)20-9-7-19(8-10-20)16(22)12-3-4-12/h2,5-6,11-12H,1,3-4,7-10H2,(H,17,18,21)
InChIKeyXNKJXVISIPHXEU-UHFFFAOYSA-N
XLogP0.45
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide (CID 56954305) is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide is C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cn1.
What is the InChIKey of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide?
The InChIKey is XNKJXVISIPHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-15(21)18-14-6-5-13(11-17-14)25(23,24)20-9-7-19(8-10-20)16(22)12-3-4-12/h2,5-6,11-12H,1,3-4,7-10H2,(H,17,18,21).
What are the key properties of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide?
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide has a molecular weight of 364.43 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]sulfonyl-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 56954305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).