N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide

C15H17N3O — CID 110661159

IUPACN-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
SMILESCc1cccc(CCCNC(=O)c2cnccn2)c1
InChIInChI=1S/C15H17N3O/c1-12-4-2-5-13(10-12)6-3-7-18-15(19)14-11-16-8-9-17-14/h2,4-5,8-11H,3,6-7H2,1H3,(H,18,19)
InChIKeyFCEURLUXKKXPGS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.15
Rot. Bonds5

About N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide

N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide (PubChem CID 110661159) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
PubChem CID110661159
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide
SMILESCc1cccc(CCCNC(=O)c2cnccn2)c1
InChIInChI=1S/C15H17N3O/c1-12-4-2-5-13(10-12)6-3-7-18-15(19)14-11-16-8-9-17-14/h2,4-5,8-11H,3,6-7H2,1H3,(H,18,19)
InChIKeyFCEURLUXKKXPGS-UHFFFAOYSA-N
XLogP2.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
4-N-[(3-methylphenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109085696
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
2-[[2-[3-(3-hydroxyphenyl)propylamino]-4,6-dimethylpyrimidine-5-carbonyl]amino]-3-(pyrazine-2-carbonylamino)propanoic acid
CID 70896123

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide (CID 110661159) is N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide is Cc1cccc(CCCNC(=O)c2cnccn2)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide?
The InChIKey is FCEURLUXKKXPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-4-2-5-13(10-12)6-3-7-18-15(19)14-11-16-8-9-17-14/h2,4-5,8-11H,3,6-7H2,1H3,(H,18,19).
What are the key properties of N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide?
N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110661159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).