N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide

C18H13ClN4O3 — CID 109292906

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H13ClN4O3/c19-11-1-3-12(4-2-11)22-17-9-20-14(8-21-17)18(24)23-13-5-6-15-16(7-13)26-10-25-15/h1-9H,10H2,(H,21,22)(H,23,24)
InChIKeyDDKQBAPLXBSDGA-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.85
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide (PubChem CID 109292906) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
PubChem CID109292906
Molecular FormulaC18H13ClN4O3
Molecular Weight368.78 g/mol
Exact Mass368.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H13ClN4O3/c19-11-1-3-12(4-2-11)22-17-9-20-14(8-21-17)18(24)23-13-5-6-15-16(7-13)26-10-25-15/h1-9H,10H2,(H,21,22)(H,23,24)
InChIKeyDDKQBAPLXBSDGA-UHFFFAOYSA-N
XLogP3.85
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291390
N-(1,3-benzodioxol-5-yl)-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109289187
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293849
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
5-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293894
N-(4-chlorophenyl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109292849
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide (CID 109292906) is N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnc(Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide?
The InChIKey is DDKQBAPLXBSDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c19-11-1-3-12(4-2-11)22-17-9-20-14(8-21-17)18(24)23-13-5-6-15-16(7-13)26-10-25-15/h1-9H,10H2,(H,21,22)(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide has a molecular weight of 368.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).