N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide

C17H21ClN4O — CID 109273234

IUPACN-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C17H21ClN4O/c1-5-12(4)21-17(23)14-8-20-15(9-19-14)22-16-11(3)6-10(2)7-13(16)18/h6-9,12H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYWVYGYMDBLZISJ-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.02
Rot. Bonds5

About N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide

N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109273234) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109273234
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C17H21ClN4O/c1-5-12(4)21-17(23)14-8-20-15(9-19-14)22-16-11(3)6-10(2)7-13(16)18/h6-9,12H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyYWVYGYMDBLZISJ-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
CID 109181511
N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362618
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
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
N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109273244
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
5-(2-methylpropylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109273026
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530
N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide
CID 109273223
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109287251

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide (CID 109273234) is N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(Nc2c(C)cc(C)cc2Cl)cn1.
What is the InChIKey of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is YWVYGYMDBLZISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-5-12(4)21-17(23)14-8-20-15(9-19-14)22-16-11(3)6-10(2)7-13(16)18/h6-9,12H,5H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide?
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).