N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

C23H26N4O — CID 109287079

IUPACN-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C23H26N4O/c1-3-19-13-7-9-17(2)22(19)27-23(28)20-15-26-21(16-25-20)24-14-8-12-18-10-5-4-6-11-18/h4-7,9-11,13,15-16H,3,8,12,14H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyHDWDPLFMVRDLJM-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.64
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (PubChem CID 109287079) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
PubChem CID109287079
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C23H26N4O/c1-3-19-13-7-9-17(2)22(19)27-23(28)20-15-26-21(16-25-20)24-14-8-12-18-10-5-4-6-11-18/h4-7,9-11,13,15-16H,3,8,12,14H2,1-2H3,(H,24,26)(H,27,28)
InChIKeyHDWDPLFMVRDLJM-UHFFFAOYSA-N
XLogP4.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-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

N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109279863
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287092
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
N-(2,6-diethylphenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287912
6-N-(2-ethyl-6-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098447

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (CID 109287079) is N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The InChIKey is HDWDPLFMVRDLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-19-13-7-9-17(2)22(19)27-23(28)20-15-26-21(16-25-20)24-14-8-12-18-10-5-4-6-11-18/h4-7,9-11,13,15-16H,3,8,12,14H2,1-2H3,(H,24,26)(H,27,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).