N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide

C17H20N4O3S — CID 51197502

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1
InChIInChI=1S/C17H20N4O3S/c22-17(16-13-18-8-9-19-16)20-12-14-4-6-15(7-5-14)25(23,24)21-10-2-1-3-11-21/h4-9,13H,1-3,10-12H2,(H,20,22)
InChIKeyKSIKUOHBXQCXLQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.58
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 51197502) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID51197502
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1
InChIInChI=1S/C17H20N4O3S/c22-17(16-13-18-8-9-19-16)20-12-14-4-6-15(7-5-14)25(23,24)21-10-2-1-3-11-21/h4-9,13H,1-3,10-12H2,(H,20,22)
InChIKeyKSIKUOHBXQCXLQ-UHFFFAOYSA-N
XLogP1.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
CID 46450029
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 55590542
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
5-chloro-1,3-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 46593410
5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide
CID 55756785
5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55382516

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide (CID 51197502) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is KSIKUOHBXQCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(16-13-18-8-9-19-16)20-12-14-4-6-15(7-5-14)25(23,24)21-10-2-1-3-11-21/h4-9,13H,1-3,10-12H2,(H,20,22).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51197502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).