N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H27N5O3S — CID 55726057

IUPACN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nccn1-c1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)ccn1
InChIInChI=1S/C23H27N5O3S/c1-17-5-3-4-13-28(17)32(30,31)21-8-6-20(7-9-21)23(29)26-16-19-10-11-25-22(15-19)27-14-12-24-18(27)2/h6-12,14-15,17H,3-5,13,16H2,1-2H3,(H,26,29)
InChIKeyDJYVTMDELSQTKT-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.07
Rot. Bonds6

About N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55726057) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55726057
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nccn1-c1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)ccn1
InChIInChI=1S/C23H27N5O3S/c1-17-5-3-4-13-28(17)32(30,31)21-8-6-20(7-9-21)23(29)26-16-19-10-11-25-22(15-19)27-14-12-24-18(27)2/h6-12,14-15,17H,3-5,13,16H2,1-2H3,(H,26,29)
InChIKeyDJYVTMDELSQTKT-UHFFFAOYSA-N
XLogP3.07
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 47037457
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-nitrophenyl)methyl]benzamide
CID 60535859
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112791077
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N-imidazo[1,2-a]pyridin-5-yl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 97216703
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55726057) is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1nccn1-c1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)ccn1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is DJYVTMDELSQTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-17-5-3-4-13-28(17)32(30,31)21-8-6-20(7-9-21)23(29)26-16-19-10-11-25-22(15-19)27-14-12-24-18(27)2/h6-12,14-15,17H,3-5,13,16H2,1-2H3,(H,26,29).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 453.57 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55726057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).