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

C19H23ClN4O — CID 109275114

IUPAC[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2cnc(C(=O)N3CCC(C)CC3)cn2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-12-4-6-24(7-5-12)19(25)16-10-22-17(11-21-16)23-18-14(3)8-13(2)9-15(18)20/h8-12H,4-7H2,1-3H3,(H,22,23)
InChIKeyVJYSDSVVCKVNAK-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.36
Rot. Bonds3

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

[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109275114) 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]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109275114
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)c(Nc2cnc(C(=O)N3CCC(C)CC3)cn2)c(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-12-4-6-24(7-5-12)19(25)16-10-22-17(11-21-16)23-18-14(3)8-13(2)9-15(18)20/h8-12H,4-7H2,1-3H3,(H,22,23)
InChIKeyVJYSDSVVCKVNAK-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]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152635
[5-(3,5-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275170
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
4-[6-(2-chloro-4,6-dimethylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345798
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109154641
(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109275097
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 109275114) is [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cc(C)c(Nc2cnc(C(=O)N3CCC(C)CC3)cn2)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VJYSDSVVCKVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-12-4-6-24(7-5-12)19(25)16-10-22-17(11-21-16)23-18-14(3)8-13(2)9-15(18)20/h8-12H,4-7H2,1-3H3,(H,22,23).
What are the key properties of [5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-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]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109275114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).