N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide

C19H25N5O — CID 38440983

IUPACN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cnccn3)CC2)c1
InChIInChI=1S/C19H25N5O/c1-16-4-2-5-17(14-16)24-12-10-23(11-13-24)9-3-6-22-19(25)18-15-20-7-8-21-18/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3,(H,22,25)
InChIKeyHPUMTLKULSYIPB-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.73
Rot. Bonds6

About N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide (PubChem CID 38440983) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
PubChem CID38440983
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cnccn3)CC2)c1
InChIInChI=1S/C19H25N5O/c1-16-4-2-5-17(14-16)24-12-10-23(11-13-24)9-3-6-22-19(25)18-15-20-7-8-21-18/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3,(H,22,25)
InChIKeyHPUMTLKULSYIPB-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010293
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
methyl 5-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]pyridine-2-carboxylate
CID 112822713
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
CID 161383648
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
CID 110661159
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
2-ethoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyridine-4-carboxamide
CID 86968073
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyridine-3-sulfonamide
CID 55819973

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide (CID 38440983) is N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide is Cc1cccc(N2CCN(CCCNC(=O)c3cnccn3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide?
The InChIKey is HPUMTLKULSYIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-16-4-2-5-17(14-16)24-12-10-23(11-13-24)9-3-6-22-19(25)18-15-20-7-8-21-18/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide?
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 38440983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).