N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C17H20N4O — CID 23607880

IUPACN-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C17H20N4O/c1-13-4-2-6-15(10-13)20-17(22)14-5-3-9-21(12-14)16-11-18-7-8-19-16/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,20,22)
InChIKeyXBNWGMOUNVYDSL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.64
Rot. Bonds3

About N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607880) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607880
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C17H20N4O/c1-13-4-2-6-15(10-13)20-17(22)14-5-3-9-21(12-14)16-11-18-7-8-19-16/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,20,22)
InChIKeyXBNWGMOUNVYDSL-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-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607880) is N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is XBNWGMOUNVYDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-4-2-6-15(10-13)20-17(22)14-5-3-9-21(12-14)16-11-18-7-8-19-16/h2,4,6-8,10-11,14H,3,5,9,12H2,1H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-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-(3-methylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).