N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

C19H23N5O2S — CID 121107848

IUPACN'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H23N5O2S/c1-27-16-5-3-2-4-15(16)23-19(26)18(25)22-12-14-6-10-24(11-7-14)17-13-20-8-9-21-17/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyFKMYHWUBPLORIV-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.17
Rot. Bonds5

About N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 121107848) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID121107848
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H23N5O2S/c1-27-16-5-3-2-4-15(16)23-19(26)18(25)22-12-14-6-10-24(11-7-14)17-13-20-8-9-21-17/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyFKMYHWUBPLORIV-UHFFFAOYSA-N
XLogP2.17
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
N'-(2-methoxy-5-methylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107842
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
N'-(2-methylsulfanylphenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]oxamide
CID 100684012
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107855
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (CID 121107848) is N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is CSc1ccccc1NC(=O)C(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is FKMYHWUBPLORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-27-16-5-3-2-4-15(16)23-19(26)18(25)22-12-14-6-10-24(11-7-14)17-13-20-8-9-21-17/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 385.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 121107848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).