N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide

C18H14ClN3O2 — CID 46880375

IUPACN-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1
InChIInChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
InChIKeyNAEQLYJGLPELMV-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.41
Rot. Bonds4

About N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 46880375) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID46880375
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1
InChIInChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)
InChIKeyNAEQLYJGLPELMV-UHFFFAOYSA-N
XLogP4.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide (CID 46880375) is N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2ccncc2Cl)c(-c2ccco2)n1)C1CC1.
What is the InChIKey of N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is NAEQLYJGLPELMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23).
What are the key properties of N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 339.78 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 46880375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).