propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate

C15H13Cl2N3O3 — CID 56694459

IUPACpropyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate
SMILESCCCOC(=O)c1nccnc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N3O3/c1-2-8-23-15(22)13-12(18-6-7-19-13)14(21)20-10-5-3-4-9(16)11(10)17/h3-7H,2,8H2,1H3,(H,20,21)
InChIKeyBTMQLMBKDMYHNY-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.60
Rot. Bonds5

About propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate

propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate (PubChem CID 56694459) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate
PubChem CID56694459
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Namepropyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate
SMILESCCCOC(=O)c1nccnc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N3O3/c1-2-8-23-15(22)13-12(18-6-7-19-13)14(21)20-10-5-3-4-9(16)11(10)17/h3-7H,2,8H2,1H3,(H,20,21)
InChIKeyBTMQLMBKDMYHNY-UHFFFAOYSA-N
XLogP3.60
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
5-chloro-N-(2,3-dichlorophenyl)-2-propylsulfonylpyrimidine-4-carboxamide
CID 18879986
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
CID 12771069
2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082627
4-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077995
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
CID 23633120
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070

Frequently Asked Questions

What is the IUPAC name of propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate?
The IUPAC name of propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate (CID 56694459) is propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate is CCCOC(=O)c1nccnc1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate?
The InChIKey is BTMQLMBKDMYHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-2-8-23-15(22)13-12(18-6-7-19-13)14(21)20-10-5-3-4-9(16)11(10)17/h3-7H,2,8H2,1H3,(H,20,21).
What are the key properties of propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate?
propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate has a molecular weight of 354.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[(2,3-dichlorophenyl)carbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 56694459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).