N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide

C23H27N5O — CID 109290811

IUPACN-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-10-8-18(9-11-19)26-23(29)21-14-25-22(15-24-21)27-20-12-7-16(3)13-17(20)4/h7-15H,5-6H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyNECMRHNFHDDDOT-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.94
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide

N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109290811) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109290811
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C23H27N5O/c1-5-28(6-2)19-10-8-18(9-11-19)26-23(29)21-14-25-22(15-24-21)27-20-12-7-16(3)13-17(20)4/h7-15H,5-6H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyNECMRHNFHDDDOT-UHFFFAOYSA-N
XLogP4.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)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

5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290744
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415
N-[4-(dimethylamino)phenyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289786
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide (CID 109290811) is N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is NECMRHNFHDDDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-5-28(6-2)19-10-8-18(9-11-19)26-23(29)21-14-25-22(15-24-21)27-20-12-7-16(3)13-17(20)4/h7-15H,5-6H2,1-4H3,(H,25,27)(H,26,29).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).