3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide

C17H19ClN4O2 — CID 56694535

IUPAC3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4O2/c1-4-9-19-16(23)14-15(21-11(3)10(2)20-14)17(24)22-13-7-5-12(18)6-8-13/h5-8H,4,9H2,1-3H3,(H,19,23)(H,22,24)
InChIKeyIUQNTMCWZSOAEY-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.14
Rot. Bonds5

About 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide

3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide (PubChem CID 56694535) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide
PubChem CID56694535
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide
SMILESCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4O2/c1-4-9-19-16(23)14-15(21-11(3)10(2)20-14)17(24)22-13-7-5-12(18)6-8-13/h5-8H,4,9H2,1-3H3,(H,19,23)(H,22,24)
InChIKeyIUQNTMCWZSOAEY-UHFFFAOYSA-N
XLogP3.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide 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

3-N-(4-chlorophenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065952
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 16897605
1-(4-chlorophenyl)-5-methyl-N-[3-(propylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 78875854
6-N-(4-phenoxyphenyl)-2-N-propylpyridine-2,6-dicarboxamide
CID 109093578

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide (CID 56694535) is 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide is CCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide?
The InChIKey is IUQNTMCWZSOAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-4-9-19-16(23)14-15(21-11(3)10(2)20-14)17(24)22-13-7-5-12(18)6-8-13/h5-8H,4,9H2,1-3H3,(H,19,23)(H,22,24).
What are the key properties of 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide?
3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorophenyl)-5,6-dimethyl-2-N-propylpyrazine-2,3-dicarboxamide is sourced from PubChem (CID 56694535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).