N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H23N5O3S — CID 51939861

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N5O3S/c1-14(19-23-17-6-2-3-7-18(17)24-19)22-20(26)15-8-11-25(12-9-15)29(27,28)16-5-4-10-21-13-16/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyWZYDAFCHLZVFDL-CQSZACIVSA-N
MW413.50 g/mol
LogP2.24
Rot. Bonds5

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 51939861) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID51939861
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N5O3S/c1-14(19-23-17-6-2-3-7-18(17)24-19)22-20(26)15-8-11-25(12-9-15)29(27,28)16-5-4-10-21-13-16/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyWZYDAFCHLZVFDL-CQSZACIVSA-N
XLogP2.24
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 25406790
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55344804
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603422
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 60620375

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 51939861) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is WZYDAFCHLZVFDL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-14(19-23-17-6-2-3-7-18(17)24-19)22-20(26)15-8-11-25(12-9-15)29(27,28)16-5-4-10-21-13-16/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 51939861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).