5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide

C19H19N5O4S — CID 67382704

IUPAC5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H19N5O4S/c20-17(25)18-21-12-16(19(26)22-18)23-7-9-24(10-8-23)29(27,28)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,7-10H2,(H2,20,25)(H,21,22,26)
InChIKeyIGTSZOYOTDFZES-UHFFFAOYSA-N
MW413.46 g/mol
LogP0.53
Rot. Bonds4

About 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide

5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide (PubChem CID 67382704) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide
PubChem CID67382704
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H19N5O4S/c20-17(25)18-21-12-16(19(26)22-18)23-7-9-24(10-8-23)29(27,28)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,7-10H2,(H2,20,25)(H,21,22,26)
InChIKeyIGTSZOYOTDFZES-UHFFFAOYSA-N
XLogP0.53
TPSA129.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide (CID 67382704) is 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide is NC(=O)c1ncc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide?
The InChIKey is IGTSZOYOTDFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c20-17(25)18-21-12-16(19(26)22-18)23-7-9-24(10-8-23)29(27,28)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,7-10H2,(H2,20,25)(H,21,22,26).
What are the key properties of 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide?
5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-oxo-1H-pyrimidine-2-carboxamide is sourced from PubChem (CID 67382704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).