N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

C14H14Cl2N4O — CID 109271537

IUPACN-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Nc1cnc(C(=O)Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C14H14Cl2N4O/c1-8(2)19-12-7-17-11(6-18-12)14(21)20-10-5-3-4-9(15)13(10)16/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNQUOVBYKMBRZKO-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.86
Rot. Bonds4

About N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (PubChem CID 109271537) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
PubChem CID109271537
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC NameN-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Nc1cnc(C(=O)Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C14H14Cl2N4O/c1-8(2)19-12-7-17-11(6-18-12)14(21)20-10-5-3-4-9(15)13(10)16/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyNQUOVBYKMBRZKO-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109294623
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
N-(2,3-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294513
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (CID 109271537) is N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is CC(C)Nc1cnc(C(=O)Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The InChIKey is NQUOVBYKMBRZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-8(2)19-12-7-17-11(6-18-12)14(21)20-10-5-3-4-9(15)13(10)16/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).