5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

C18H24N4O — CID 109273026

IUPAC5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(NCC(C)C)cn2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-11(2)8-20-16-10-19-15(9-21-16)18(23)22-17-13(4)6-12(3)7-14(17)5/h6-7,9-11H,8H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyUZUMTCDKFVOCAJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.72
Rot. Bonds5

About 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide

5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109273026) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
PubChem CID109273026
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(NCC(C)C)cn2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-11(2)8-20-16-10-19-15(9-21-16)18(23)22-17-13(4)6-12(3)7-14(17)5/h6-7,9-11H,8H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyUZUMTCDKFVOCAJ-UHFFFAOYSA-N
XLogP3.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
5-(butylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272639
5-(3-methoxypropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109276297
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109273091
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273040
N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273070
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide (CID 109273026) is 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(NCC(C)C)cn2)c(C)c1.
What is the InChIKey of 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is UZUMTCDKFVOCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(2)8-20-16-10-19-15(9-21-16)18(23)22-17-13(4)6-12(3)7-14(17)5/h6-7,9-11H,8H2,1-5H3,(H,20,21)(H,22,23).
What are the key properties of 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide?
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109273026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).