N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C17H20N4O — CID 646156

IUPACN-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4O/c1-13-4-2-3-5-15(13)20-17(22)14-6-10-21(11-7-14)16-12-18-8-9-19-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,20,22)
InChIKeyRLVSZKQCWQWFNE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.64
Rot. Bonds3

About N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 646156) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID646156
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4O/c1-13-4-2-3-5-15(13)20-17(22)14-6-10-21(11-7-14)16-12-18-8-9-19-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,20,22)
InChIKeyRLVSZKQCWQWFNE-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 646156) is N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is Cc1ccccc1NC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is RLVSZKQCWQWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-4-2-3-5-15(13)20-17(22)14-6-10-21(11-7-14)16-12-18-8-9-19-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 646156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).