6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide

C23H26FN5O2 — CID 126465032

IUPAC6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(-c2ccc(F)cc2)nc1N1CCCC(CO)C1
InChIInChI=1S/C23H26FN5O2/c1-28(14-21-25-10-11-26-21)23(31)19-8-9-20(17-4-6-18(24)7-5-17)27-22(19)29-12-2-3-16(13-29)15-30/h4-11,16,30H,2-3,12-15H2,1H3,(H,25,26)
InChIKeyDZHURLCLTNAQTM-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.09
Rot. Bonds6

About 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide

6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 126465032) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID126465032
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(-c2ccc(F)cc2)nc1N1CCCC(CO)C1
InChIInChI=1S/C23H26FN5O2/c1-28(14-21-25-10-11-26-21)23(31)19-8-9-20(17-4-6-18(24)7-5-17)27-22(19)29-12-2-3-16(13-29)15-30/h4-11,16,30H,2-3,12-15H2,1H3,(H,25,26)
InChIKeyDZHURLCLTNAQTM-UHFFFAOYSA-N
XLogP3.09
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide (CID 126465032) is 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(-c2ccc(F)cc2)nc1N1CCCC(CO)C1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is DZHURLCLTNAQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-28(14-21-25-10-11-26-21)23(31)19-8-9-20(17-4-6-18(24)7-5-17)27-22(19)29-12-2-3-16(13-29)15-30/h4-11,16,30H,2-3,12-15H2,1H3,(H,25,26).
What are the key properties of 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 126465032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).