[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

C19H23ClN4O — CID 109288719

IUPAC[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2cnc(C(=O)N3CCCC(C)C3)cn2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-12-5-4-6-24(11-12)19(25)16-9-22-17(10-21-16)23-18-14(3)7-13(2)8-15(18)20/h7-10,12H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyRLLUVSDEIONRKJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.36
Rot. Bonds3

About [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109288719) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109288719
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2cnc(C(=O)N3CCCC(C)C3)cn2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-12-5-4-6-24(11-12)19(25)16-9-22-17(10-21-16)23-18-14(3)7-13(2)8-15(18)20/h7-10,12H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyRLLUVSDEIONRKJ-UHFFFAOYSA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334056
[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530
[5-(2-bromo-4-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288759
[5-[2-chloro-5-(trifluoromethyl)anilino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288746
[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152635
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
[5-(3,5-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275170

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 109288719) is [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(C)c(Nc2cnc(C(=O)N3CCCC(C)C3)cn2)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RLLUVSDEIONRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-12-5-4-6-24(11-12)19(25)16-9-22-17(10-21-16)23-18-14(3)7-13(2)8-15(18)20/h7-10,12H,4-6,11H2,1-3H3,(H,22,23).
What are the key properties of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109288719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).