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

C22H25N5O3S — CID 92620346

IUPACN-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ncccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H25N5O3S/c1-26-15-20(25-16-26)31(29,30)27-13-6-5-11-19(27)21-18(10-7-12-23-21)22(28)24-14-17-8-3-2-4-9-17/h2-4,7-10,12,15-16,19H,5-6,11,13-14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyKXZKLCGEAJSRQL-IBGZPJMESA-N
MW439.54 g/mol
LogP2.66
Rot. Bonds6

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

N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide (PubChem CID 92620346) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide
PubChem CID92620346
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ncccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H25N5O3S/c1-26-15-20(25-16-26)31(29,30)27-13-6-5-11-19(27)21-18(10-7-12-23-21)22(28)24-14-17-8-3-2-4-9-17/h2-4,7-10,12,15-16,19H,5-6,11,13-14H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyKXZKLCGEAJSRQL-IBGZPJMESA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide
CID 110260313
N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
N-benzyl-2-[1-(diethylsulfamoyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110260296
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
CID 92625334
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124979504
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990
N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 110247837
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425
2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 87052218
ethyl 1-(1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 20958581
1-[2-(3-fluorophenyl)acetyl]-8-(1-methylimidazol-4-yl)sulfonyl-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 110201989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide (CID 92620346) is N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ncccc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide?
The InChIKey is KXZKLCGEAJSRQL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-26-15-20(25-16-26)31(29,30)27-13-6-5-11-19(27)21-18(10-7-12-23-21)22(28)24-14-17-8-3-2-4-9-17/h2-4,7-10,12,15-16,19H,5-6,11,13-14H2,1H3,(H,24,28)/t19-/m0/s1.
What are the key properties of N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide?
N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92620346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).