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

C13H19N5O2 — CID 71786332

IUPACN-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O2/c1-14-12(19)13(20)17-8-10-2-6-18(7-3-10)11-9-15-4-5-16-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,19)(H,17,20)
InChIKeyUCMBYAACCDJRCD-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.44
Rot. Bonds3

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

N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 71786332) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID71786332
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O2/c1-14-12(19)13(20)17-8-10-2-6-18(7-3-10)11-9-15-4-5-16-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,19)(H,17,20)
InChIKeyUCMBYAACCDJRCD-UHFFFAOYSA-N
XLogP-0.44
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (CID 71786332) is N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is CNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is UCMBYAACCDJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-14-12(19)13(20)17-8-10-2-6-18(7-3-10)11-9-15-4-5-16-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,19)(H,17,20).
What are the key properties of N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 277.33 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 71786332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).