[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate

C15H16N4O3 — CID 5035630

IUPAC[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(C)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H16N4O3/c1-19(2)12-5-3-11(4-6-12)18-14(20)10-22-15(21)13-9-16-7-8-17-13/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyHAMXEJBEQKYDPA-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.34
Rot. Bonds5

About [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 5035630) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID5035630
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCN(C)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H16N4O3/c1-19(2)12-5-3-11(4-6-12)18-14(20)10-22-15(21)13-9-16-7-8-17-13/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyHAMXEJBEQKYDPA-UHFFFAOYSA-N
XLogP1.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate 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

[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770
[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335
[2-(4-bromo-3-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2433474
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985432
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] pyrazine-2-carboxylate
CID 7432805
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4257818
[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196476
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196711
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2092523
[2-[4-(dimethylamino)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 40673339
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate (CID 5035630) is [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate is CN(C)c1ccc(NC(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is HAMXEJBEQKYDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-19(2)12-5-3-11(4-6-12)18-14(20)10-22-15(21)13-9-16-7-8-17-13/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 5035630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).