3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide

C17H8Cl2F2N4O3 — CID 54578185

IUPAC3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccncc1Cl
InChIInChI=1S/C17H8Cl2F2N4O3/c18-10-4-14-13(27-17(20,21)28-14)3-9(10)12-6-24-15(7-23-12)25-16(26)8-1-2-22-5-11(8)19/h1-7H,(H,24,25,26)
InChIKeyVIUKVEHOMTYTKU-UHFFFAOYSA-N
MW425.18 g/mol
LogP4.42
Rot. Bonds3

About 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide

3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 54578185) has the molecular formula C17H8Cl2F2N4O3 and a molecular weight of 425.18 g/mol. Its IUPAC name is 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID54578185
Molecular FormulaC17H8Cl2F2N4O3
Molecular Weight425.18 g/mol
Exact Mass423.99
IUPAC Name3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccncc1Cl
InChIInChI=1S/C17H8Cl2F2N4O3/c18-10-4-14-13(27-17(20,21)28-14)3-9(10)12-6-24-15(7-23-12)25-16(26)8-1-2-22-5-11(8)19/h1-7H,(H,24,25,26)
InChIKeyVIUKVEHOMTYTKU-UHFFFAOYSA-N
XLogP4.42
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.18
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide (CID 54578185) is 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is VIUKVEHOMTYTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2F2N4O3/c18-10-4-14-13(27-17(20,21)28-14)3-9(10)12-6-24-15(7-23-12)25-16(26)8-1-2-22-5-11(8)19/h1-7H,(H,24,25,26).
What are the key properties of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide?
3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 425.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 54578185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).