N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide

C25H28N4O4S — CID 142919109

IUPACN-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ncccc3C)c3ccccc23)[C@H](C)C1
InChIInChI=1S/C25H28N4O4S/c1-16-7-6-13-26-24(16)25(31)27-22-10-11-23(20-9-5-4-8-19(20)22)34(32,33)28-21-12-14-29(18(3)30)15-17(21)2/h4-11,13,17,21,28H,12,14-15H2,1-3H3,(H,27,31)/t17-,21?/m1/s1
InChIKeyUHVZBWSCBPAQCO-OQHSHRKDSA-N
MW480.59 g/mol
LogP3.33
Rot. Bonds5

About N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide

N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide (PubChem CID 142919109) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide
PubChem CID142919109
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ncccc3C)c3ccccc23)[C@H](C)C1
InChIInChI=1S/C25H28N4O4S/c1-16-7-6-13-26-24(16)25(31)27-22-10-11-23(20-9-5-4-8-19(20)22)34(32,33)28-21-12-14-29(18(3)30)15-17(21)2/h4-11,13,17,21,28H,12,14-15H2,1-3H3,(H,27,31)/t17-,21?/m1/s1
InChIKeyUHVZBWSCBPAQCO-OQHSHRKDSA-N
XLogP3.33
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide (CID 142919109) is N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide is CC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ncccc3C)c3ccccc23)[C@H](C)C1.
What is the InChIKey of N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is UHVZBWSCBPAQCO-OQHSHRKDSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-16-7-6-13-26-24(16)25(31)27-22-10-11-23(20-9-5-4-8-19(20)22)34(32,33)28-21-12-14-29(18(3)30)15-17(21)2/h4-11,13,17,21,28H,12,14-15H2,1-3H3,(H,27,31)/t17-,21?/m1/s1.
What are the key properties of N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide?
N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-1-acetyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 142919109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).