N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide

C22H25N5O3S — CID 110260313

IUPACN-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3ncccc3C(=O)NCc3ccccc3)C2)c1
InChIInChI=1S/C22H25N5O3S/c1-26-15-20(25-16-26)31(29,30)27-12-6-9-18(14-27)21-19(10-5-11-23-21)22(28)24-13-17-7-3-2-4-8-17/h2-5,7-8,10-11,15-16,18H,6,9,12-14H2,1H3,(H,24,28)
InChIKeyBFZFBJWSVGOCSK-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.31
Rot. Bonds6

About N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide

N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide (PubChem CID 110260313) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide
PubChem CID110260313
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3ncccc3C(=O)NCc3ccccc3)C2)c1
InChIInChI=1S/C22H25N5O3S/c1-26-15-20(25-16-26)31(29,30)27-12-6-9-18(14-27)21-19(10-5-11-23-21)22(28)24-13-17-7-3-2-4-8-17/h2-5,7-8,10-11,15-16,18H,6,9,12-14H2,1H3,(H,24,28)
InChIKeyBFZFBJWSVGOCSK-UHFFFAOYSA-N
XLogP2.31
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110260296
N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide
CID 92620346
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342
2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine
CID 110255183
1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 50794723
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810657
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95817675
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide (CID 110260313) is N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(c3ncccc3C(=O)NCc3ccccc3)C2)c1.
What is the InChIKey of N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is BFZFBJWSVGOCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-26-15-20(25-16-26)31(29,30)27-12-6-9-18(14-27)21-19(10-5-11-23-21)22(28)24-13-17-7-3-2-4-8-17/h2-5,7-8,10-11,15-16,18H,6,9,12-14H2,1H3,(H,24,28).
What are the key properties of N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide?
N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110260313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).