[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

C17H19ClN4O — CID 109274372

IUPAC[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cc(Cl)ccc1Nc1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H19ClN4O/c1-12-9-13(18)5-6-14(12)21-16-11-19-15(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyQRTVBBNYYCKCLA-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.81
Rot. Bonds3

About [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone

[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 109274372) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID109274372
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cc(Cl)ccc1Nc1cnc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H19ClN4O/c1-12-9-13(18)5-6-14(12)21-16-11-19-15(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyQRTVBBNYYCKCLA-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
[5-(2,3-dichloroanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273678
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321835
1-[4-[6-(4-chloro-2-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346072
5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone (CID 109274372) is [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is Cc1cc(Cl)ccc1Nc1cnc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is QRTVBBNYYCKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-9-13(18)5-6-14(12)21-16-11-19-15(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21).
What are the key properties of [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone?
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 330.82 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109274372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).