N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

C16H26N6O4S — CID 74908550

IUPACN-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C16H26N6O4S/c1-10-9-14(23)19-16(17-10)22-13(8-11(2)20-22)18-15(24)12-4-6-21(7-5-12)27(3,25)26/h8,10,12,16-17H,4-7,9H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyMXWMEEOJZOBKKT-UHFFFAOYSA-N
MW398.49 g/mol
LogP-0.24
Rot. Bonds4

About N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 74908550) has the molecular formula C16H26N6O4S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID74908550
Molecular FormulaC16H26N6O4S
Molecular Weight398.49 g/mol
Exact Mass398.17
IUPAC NameN-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C16H26N6O4S/c1-10-9-14(23)19-16(17-10)22-13(8-11(2)20-22)18-15(24)12-4-6-21(7-5-12)27(3,25)26/h8,10,12,16-17H,4-7,9H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyMXWMEEOJZOBKKT-UHFFFAOYSA-N
XLogP-0.24
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
CID 78713882
2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713973
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 136636536
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea
CID 74924579
2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide
CID 74801520
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-tert-butylphenyl)urea
CID 74924556
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 16606132
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 74908550) is N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(C2NC(=O)CC(C)N2)n1.
What is the InChIKey of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is MXWMEEOJZOBKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4S/c1-10-9-14(23)19-16(17-10)22-13(8-11(2)20-22)18-15(24)12-4-6-21(7-5-12)27(3,25)26/h8,10,12,16-17H,4-7,9H2,1-3H3,(H,18,24)(H,19,23).
What are the key properties of N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 74908550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).