6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C28H28FN5O — CID 67268736

IUPAC6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCn1ccnc1-c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1
InChIInChI=1S/C28H28FN5O/c1-33-16-13-30-27(33)21-7-5-20(6-8-21)19-34-14-11-25(12-15-34)32-28(35)23-9-10-26(31-18-23)22-3-2-4-24(29)17-22/h2-10,13,16-18,25H,11-12,14-15,19H2,1H3,(H,32,35)
InChIKeyWKDRWVMSQNRXMM-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.68
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268736) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268736
Molecular FormulaC28H28FN5O
Molecular Weight469.56 g/mol
Exact Mass469.23
IUPAC Name6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCn1ccnc1-c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1
InChIInChI=1S/C28H28FN5O/c1-33-16-13-30-27(33)21-7-5-20(6-8-21)19-34-14-11-25(12-15-34)32-28(35)23-9-10-26(31-18-23)22-3-2-4-24(29)17-22/h2-10,13,16-18,25H,11-12,14-15,19H2,1H3,(H,32,35)
InChIKeyWKDRWVMSQNRXMM-UHFFFAOYSA-N
XLogP4.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268736) is 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is Cn1ccnc1-c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is WKDRWVMSQNRXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c1-33-16-13-30-27(33)21-7-5-20(6-8-21)19-34-14-11-25(12-15-34)32-28(35)23-9-10-26(31-18-23)22-3-2-4-24(29)17-22/h2-10,13,16-18,25H,11-12,14-15,19H2,1H3,(H,32,35).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).