6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide

C25H31FN4O2 — CID 59401490

IUPAC6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide
SMILESCN(C(=O)C1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1)C1CCNCC1
InChIInChI=1S/C25H31FN4O2/c1-30(22-11-13-27-14-12-22)25(32)17-5-8-21(9-6-17)29-24(31)19-7-10-23(28-16-19)18-3-2-4-20(26)15-18/h2-4,7,10,15-17,21-22,27H,5-6,8-9,11-14H2,1H3,(H,29,31)
InChIKeySCEJKHKFHHHWHH-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.39
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 59401490) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID59401490
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide
SMILESCN(C(=O)C1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1)C1CCNCC1
InChIInChI=1S/C25H31FN4O2/c1-30(22-11-13-27-14-12-22)25(32)17-5-8-21(9-6-17)29-24(31)19-7-10-23(28-16-19)18-3-2-4-20(26)15-18/h2-4,7,10,15-17,21-22,27H,5-6,8-9,11-14H2,1H3,(H,29,31)
InChIKeySCEJKHKFHHHWHH-UHFFFAOYSA-N
XLogP3.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide (CID 59401490) is 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide is CN(C(=O)C1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1)C1CCNCC1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is SCEJKHKFHHHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-30(22-11-13-27-14-12-22)25(32)17-5-8-21(9-6-17)29-24(31)19-7-10-23(28-16-19)18-3-2-4-20(26)15-18/h2-4,7,10,15-17,21-22,27H,5-6,8-9,11-14H2,1H3,(H,29,31).
What are the key properties of 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 59401490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).