5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide

C18H23ClN4O — CID 109287810

IUPAC5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCCC(C)C)cn2)c(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-11(2)5-6-20-18(24)15-9-22-16(10-21-15)23-17-13(4)7-12(3)8-14(17)19/h7-11H,5-6H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyRYOMRTRAKXGRNS-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.27
Rot. Bonds6

About 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide

5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide (PubChem CID 109287810) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
PubChem CID109287810
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCCC(C)C)cn2)c(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-11(2)5-6-20-18(24)15-9-22-16(10-21-15)23-17-13(4)7-12(3)8-14(17)19/h7-11H,5-6H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyRYOMRTRAKXGRNS-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263439
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283574
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109283000
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202969
5-(3-acetylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287829
methyl 4-[[5-(3-methylbutylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287835
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263556
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109287251
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide (CID 109287810) is 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide is Cc1cc(C)c(Nc2cnc(C(=O)NCCC(C)C)cn2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The InChIKey is RYOMRTRAKXGRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-11(2)5-6-20-18(24)15-9-22-16(10-21-15)23-17-13(4)7-12(3)8-14(17)19/h7-11H,5-6H2,1-4H3,(H,20,24)(H,22,23).
What are the key properties of 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide?
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).