N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide

C16H26N4O3S — CID 50842301

IUPACN-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ncccc2NS(C)(=O)=O)C1
InChIInChI=1S/C16H26N4O3S/c1-3-4-9-18-16(21)13-7-6-11-20(12-13)15-14(8-5-10-17-15)19-24(2,22)23/h5,8,10,13,19H,3-4,6-7,9,11-12H2,1-2H3,(H,18,21)
InChIKeyXVVREOVLXYAQLE-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.59
Rot. Bonds7

About N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide

N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 50842301) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID50842301
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ncccc2NS(C)(=O)=O)C1
InChIInChI=1S/C16H26N4O3S/c1-3-4-9-18-16(21)13-7-6-11-20(12-13)15-14(8-5-10-17-15)19-24(2,22)23/h5,8,10,13,19H,3-4,6-7,9,11-12H2,1-2H3,(H,18,21)
InChIKeyXVVREOVLXYAQLE-UHFFFAOYSA-N
XLogP1.59
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
CID 50842397
1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
CID 50842371
N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 50928010
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441
N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
CID 49431600
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-pentylpiperidine-3-carboxamide
CID 46392303
(3S)-N-butyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073730
N-butyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 49431649
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
(3R)-N-butyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125128650
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide (CID 50842301) is N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2ncccc2NS(C)(=O)=O)C1.
What is the InChIKey of N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is XVVREOVLXYAQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-3-4-9-18-16(21)13-7-6-11-20(12-13)15-14(8-5-10-17-15)19-24(2,22)23/h5,8,10,13,19H,3-4,6-7,9,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide?
N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 50842301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).