N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

C17H24N6O4S — CID 136636536

IUPACN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C17H24N6O4S/c1-10-9-14(23(21-10)17-18-12(3)11(2)15(24)20-17)19-16(25)13-5-7-22(8-6-13)28(4,26)27/h9,13H,5-8H2,1-4H3,(H,19,25)(H,18,20,24)
InChIKeyBNTTVFYMGWWCBA-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.49
Rot. Bonds4

About N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 136636536) has the molecular formula C17H24N6O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID136636536
Molecular FormulaC17H24N6O4S
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1
InChIInChI=1S/C17H24N6O4S/c1-10-9-14(23(21-10)17-18-12(3)11(2)15(24)20-17)19-16(25)13-5-7-22(8-6-13)28(4,26)27/h9,13H,5-8H2,1-4H3,(H,19,25)(H,18,20,24)
InChIKeyBNTTVFYMGWWCBA-UHFFFAOYSA-N
XLogP0.49
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 135551631
N-cyclopentyl-N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 135954167
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551467
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 135949176
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 136636502
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 74908550
2,5-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551527
4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 136636702
2,4-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551526
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 135551553
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide
CID 136641348

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 136636536) is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is BNTTVFYMGWWCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4S/c1-10-9-14(23(21-10)17-18-12(3)11(2)15(24)20-17)19-16(25)13-5-7-22(8-6-13)28(4,26)27/h9,13H,5-8H2,1-4H3,(H,19,25)(H,18,20,24).
What are the key properties of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 136636536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).