N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide

C19H22N4O4S — CID 9331872

IUPACN'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H22N4O4S/c1-14-6-3-5-13-23(14)28(26,27)16-10-8-15(9-11-16)18(24)21-22-19(25)17-7-2-4-12-20-17/h2,4,7-12,14H,3,5-6,13H2,1H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyMAXVNMPICZIPCF-AWEZNQCLSA-N
MW402.48 g/mol
LogP1.72
Rot. Bonds4

About N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide

N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide (PubChem CID 9331872) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
PubChem CID9331872
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C19H22N4O4S/c1-14-6-3-5-13-23(14)28(26,27)16-10-8-15(9-11-16)18(24)21-22-19(25)17-7-2-4-12-20-17/h2,4,7-12,14H,3,5-6,13H2,1H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyMAXVNMPICZIPCF-AWEZNQCLSA-N
XLogP1.72
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide
CID 42060829
N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide
CID 42060823
N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 55351992
N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9033321
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55359546
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
N-imidazo[1,2-a]pyridin-5-yl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 97216703
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
CID 26819578
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide (CID 9331872) is N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide is C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide?
The InChIKey is MAXVNMPICZIPCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-14-6-3-5-13-23(14)28(26,27)16-10-8-15(9-11-16)18(24)21-22-19(25)17-7-2-4-12-20-17/h2,4,7-12,14H,3,5-6,13H2,1H3,(H,21,24)(H,22,25)/t14-/m0/s1.
What are the key properties of N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide?
N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide has a molecular weight of 402.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9331872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).