[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

C20H26N4O — CID 109274363

IUPAC[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(C)C)c1Nc1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)23-18-13-21-17(12-22-18)20(25)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,22,23)
InChIKeyZFVJWZFTRARUAV-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.28
Rot. Bonds4

About [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 109274363) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID109274363
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(C)C)c1Nc1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)23-18-13-21-17(12-22-18)20(25)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,22,23)
InChIKeyZFVJWZFTRARUAV-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341722
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276475
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109275097
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
4-[5-(2,3-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278797
5-(cyclopentylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109274174
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648

Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (CID 109274363) is [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is Cc1cccc(C(C)C)c1Nc1cnc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ZFVJWZFTRARUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)23-18-13-21-17(12-22-18)20(25)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,22,23).
What are the key properties of [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
[5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 338.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-6-propan-2-ylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109274363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).