N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide

C20H29N5O — CID 109272523

IUPACN-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C20H29N5O/c1-5-8-11-21-20(26)18-13-23-19(14-22-18)24-17-10-9-16(12-15(17)4)25(6-2)7-3/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,26)(H,23,24)
InChIKeyWCCUEPUTGUYCMI-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.90
Rot. Bonds9

About N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide

N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide (PubChem CID 109272523) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
PubChem CID109272523
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Nc2ccc(N(CC)CC)cc2C)cn1
InChIInChI=1S/C20H29N5O/c1-5-8-11-21-20(26)18-13-23-19(14-22-18)24-17-10-9-16(12-15(17)4)25(6-2)7-3/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,26)(H,23,24)
InChIKeyWCCUEPUTGUYCMI-UHFFFAOYSA-N
XLogP3.90
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109287329
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109272532
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide (CID 109272523) is N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(Nc2ccc(N(CC)CC)cc2C)cn1.
What is the InChIKey of N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The InChIKey is WCCUEPUTGUYCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-8-11-21-20(26)18-13-23-19(14-22-18)24-17-10-9-16(12-15(17)4)25(6-2)7-3/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,26)(H,23,24).
What are the key properties of N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109272523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).