1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide

C21H23N5O3S — CID 60553157

IUPAC1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O3S/c27-21(24-19-8-4-11-22-20(19)26-13-5-12-23-26)18-9-14-25(15-10-18)30(28,29)16-17-6-2-1-3-7-17/h1-8,11-13,18H,9-10,14-16H2,(H,24,27)
InChIKeyNVAUNNUZVNLNGK-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.45
Rot. Bonds6

About 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide

1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 60553157) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
PubChem CID60553157
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O3S/c27-21(24-19-8-4-11-22-20(19)26-13-5-12-23-26)18-9-14-25(15-10-18)30(28,29)16-17-6-2-1-3-7-17/h1-8,11-13,18H,9-10,14-16H2,(H,24,27)
InChIKeyNVAUNNUZVNLNGK-UHFFFAOYSA-N
XLogP2.45
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-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

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 30885037
1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 30884800
3-amino-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 66008743
1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 43063142
4-N-pyrazin-2-yl-1-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47050033
1-benzylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 55721872
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924
1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
CID 50808819
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702
4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 75429385
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
ethyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-3-methylbenzoate
CID 99953680

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide (CID 60553157) is 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide is O=C(Nc1cccnc1-n1cccn1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NVAUNNUZVNLNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-21(24-19-8-4-11-22-20(19)26-13-5-12-23-26)18-9-14-25(15-10-18)30(28,29)16-17-6-2-1-3-7-17/h1-8,11-13,18H,9-10,14-16H2,(H,24,27).
What are the key properties of 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide?
1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 60553157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).