N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide

C18H13F2N5O — CID 53321372

IUPACN-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1)C1CC1
InChIInChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)
InChIKeyJSTVKVBTXCGTLN-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.23
Rot. Bonds4

About N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide

N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 53321372) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
PubChem CID53321372
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1)C1CC1
InChIInChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)
InChIKeyJSTVKVBTXCGTLN-UHFFFAOYSA-N
XLogP3.23
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide (CID 53321372) is N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cnc(-c2c(F)cncc2F)c(-c2cccnc2)n1)C1CC1.
What is the InChIKey of N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is JSTVKVBTXCGTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26).
What are the key properties of N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53321372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).