6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C25H35N5O2 — CID 69039593

IUPAC6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESC=CCOCC1CCCN(CC2CCCCC2NC(=O)c2ccc(-n3ccnc3)nc2)C1
InChIInChI=1S/C25H35N5O2/c1-2-14-32-18-20-6-5-12-29(16-20)17-22-7-3-4-8-23(22)28-25(31)21-9-10-24(27-15-21)30-13-11-26-19-30/h2,9-11,13,15,19-20,22-23H,1,3-8,12,14,16-18H2,(H,28,31)
InChIKeyQHUDQNYXPRRSLI-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.47
Rot. Bonds9

About 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 69039593) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID69039593
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESC=CCOCC1CCCN(CC2CCCCC2NC(=O)c2ccc(-n3ccnc3)nc2)C1
InChIInChI=1S/C25H35N5O2/c1-2-14-32-18-20-6-5-12-29(16-20)17-22-7-3-4-8-23(22)28-25(31)21-9-10-24(27-15-21)30-13-11-26-19-30/h2,9-11,13,15,19-20,22-23H,1,3-8,12,14,16-18H2,(H,28,31)
InChIKeyQHUDQNYXPRRSLI-UHFFFAOYSA-N
XLogP3.47
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 69039593) is 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is C=CCOCC1CCCN(CC2CCCCC2NC(=O)c2ccc(-n3ccnc3)nc2)C1.
What is the InChIKey of 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is QHUDQNYXPRRSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-2-14-32-18-20-6-5-12-29(16-20)17-22-7-3-4-8-23(22)28-25(31)21-9-10-24(27-15-21)30-13-11-26-19-30/h2,9-11,13,15,19-20,22-23H,1,3-8,12,14,16-18H2,(H,28,31).
What are the key properties of 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 69039593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).