N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide

C22H33N5O — CID 109289101

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
SMILESCCCN(CCC)c1cnc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C22H33N5O/c1-6-12-27(13-7-2)21-16-23-20(15-24-21)22(28)25-19-11-10-18(14-17(19)5)26(8-3)9-4/h10-11,14-16H,6-9,12-13H2,1-5H3,(H,25,28)
InChIKeyRVYOHEFMZVGZAJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.51
Rot. Bonds10

About N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide (PubChem CID 109289101) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
PubChem CID109289101
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
SMILESCCCN(CCC)c1cnc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C22H33N5O/c1-6-12-27(13-7-2)21-16-23-20(15-24-21)22(28)25-19-11-10-18(14-17(19)5)26(8-3)9-4/h10-11,14-16H,6-9,12-13H2,1-5H3,(H,25,28)
InChIKeyRVYOHEFMZVGZAJ-UHFFFAOYSA-N
XLogP4.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)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-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289084
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376
5-(diethylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109286882
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide (CID 109289101) is N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide is CCCN(CCC)c1cnc(C(=O)Nc2ccc(N(CC)CC)cc2C)cn1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide?
The InChIKey is RVYOHEFMZVGZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-6-12-27(13-7-2)21-16-23-20(15-24-21)22(28)25-19-11-10-18(14-17(19)5)26(8-3)9-4/h10-11,14-16H,6-9,12-13H2,1-5H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109289101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).