N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide

C25H28N2O2 — CID 145136245

IUPACN-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide
SMILESCCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)NC(=O)C1CCCCC1
InChIInChI=1S/C25H28N2O2/c1-3-18-15-26-16-22(24-14-20-11-7-8-12-23(20)29-24)21(18)13-17(2)27-25(28)19-9-5-4-6-10-19/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,27,28)/b17-13+
InChIKeyVDCYHSVZGOQGTN-GHRIWEEISA-N
MW388.51 g/mol
LogP6.11
Rot. Bonds5

About N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide

N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide (PubChem CID 145136245) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide
PubChem CID145136245
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide
SMILESCCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)NC(=O)C1CCCCC1
InChIInChI=1S/C25H28N2O2/c1-3-18-15-26-16-22(24-14-20-11-7-8-12-23(20)29-24)21(18)13-17(2)27-25(28)19-9-5-4-6-10-19/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,27,28)/b17-13+
InChIKeyVDCYHSVZGOQGTN-GHRIWEEISA-N
XLogP6.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide (CID 145136245) is N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide is CCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide?
The InChIKey is VDCYHSVZGOQGTN-GHRIWEEISA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-18-15-26-16-22(24-14-20-11-7-8-12-23(20)29-24)21(18)13-17(2)27-25(28)19-9-5-4-6-10-19/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,27,28)/b17-13+.
What are the key properties of N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide?
N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide has a molecular weight of 388.51 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 145136245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).