N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide

C21H30N4O — CID 109272506

IUPACN-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Nc2c(C(C)C)cccc2C(C)C)cn1
InChIInChI=1S/C21H30N4O/c1-6-7-11-22-21(26)18-12-24-19(13-23-18)25-20-16(14(2)3)9-8-10-17(20)15(4)5/h8-10,12-15H,6-7,11H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyDRHKXJVOAKMVDY-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.00
Rot. Bonds8

About N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide

N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide (PubChem CID 109272506) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
PubChem CID109272506
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(Nc2c(C(C)C)cccc2C(C)C)cn1
InChIInChI=1S/C21H30N4O/c1-6-7-11-22-21(26)18-12-24-19(13-23-18)25-20-16(14(2)3)9-8-10-17(20)15(4)5/h8-10,12-15H,6-7,11H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyDRHKXJVOAKMVDY-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109151740
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
CID 109288020
N-butyl-4-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109202571
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
N-butyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109272532
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
methyl 3-[[5-(pentylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109288066
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide (CID 109272506) is N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(Nc2c(C(C)C)cccc2C(C)C)cn1.
What is the InChIKey of N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide?
The InChIKey is DRHKXJVOAKMVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-6-7-11-22-21(26)18-12-24-19(13-23-18)25-20-16(14(2)3)9-8-10-17(20)15(4)5/h8-10,12-15H,6-7,11H2,1-5H3,(H,22,26)(H,24,25).
What are the key properties of N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide?
N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109272506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).