(2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone

C18H22N2O2 — CID 46404203

IUPAC(2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)o1
InChIInChI=1S/C18H22N2O2/c1-2-15-11-12-16(22-15)18(21)20-13-7-6-10-17(20)19-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3/b19-17+
InChIKeyKTUZGNBKZJEZIE-HTXNQAPBSA-N
MW298.39 g/mol
LogP3.57
Rot. Bonds3

About (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone

(2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone (PubChem CID 46404203) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone
PubChem CID46404203
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)o1
InChIInChI=1S/C18H22N2O2/c1-2-15-11-12-16(22-15)18(21)20-13-7-6-10-17(20)19-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3/b19-17+
InChIKeyKTUZGNBKZJEZIE-HTXNQAPBSA-N
XLogP3.57
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone (CID 46404203) is (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)o1.
What is the InChIKey of (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is KTUZGNBKZJEZIE-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-15-11-12-16(22-15)18(21)20-13-7-6-10-17(20)19-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3/b19-17+.
What are the key properties of (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone?
(2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 46404203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).