5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide

C18H24N4O — CID 109280397

IUPAC5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(NCc2cccc(C)c2)cn1
InChIInChI=1S/C18H24N4O/c1-3-4-5-9-19-18(23)16-12-22-17(13-20-16)21-11-15-8-6-7-14(2)10-15/h6-8,10,12-13H,3-5,9,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyUMDXAOGMMGHIIZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.32
Rot. Bonds8

About 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide

5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide (PubChem CID 109280397) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
PubChem CID109280397
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(NCc2cccc(C)c2)cn1
InChIInChI=1S/C18H24N4O/c1-3-4-5-9-19-18(23)16-12-22-17(13-20-16)21-11-15-8-6-7-14(2)10-15/h6-8,10,12-13H,3-5,9,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyUMDXAOGMMGHIIZ-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
CID 109118268
N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280392
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
N-(3-methylphenyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109288125
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
N-(2,3-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280416
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277739
N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109154379
N-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280476
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide?
The IUPAC name of 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide (CID 109280397) is 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(NCc2cccc(C)c2)cn1.
What is the InChIKey of 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide?
The InChIKey is UMDXAOGMMGHIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-4-5-9-19-18(23)16-12-22-17(13-20-16)21-11-15-8-6-7-14(2)10-15/h6-8,10,12-13H,3-5,9,11H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide?
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide is sourced from PubChem (CID 109280397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).