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

C26H29FN4O2 — CID 67268525

IUPAC6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)(O)c1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccn1
InChIInChI=1S/C26H29FN4O2/c1-26(2,33)24-14-18(8-11-28-24)17-31-12-9-22(10-13-31)30-25(32)20-6-7-23(29-16-20)19-4-3-5-21(27)15-19/h3-8,11,14-16,22,33H,9-10,12-13,17H2,1-2H3,(H,30,32)
InChIKeyMJJPZMRNAMGJPA-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.90
Rot. Bonds6

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

6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268525) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268525
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)(O)c1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccn1
InChIInChI=1S/C26H29FN4O2/c1-26(2,33)24-14-18(8-11-28-24)17-31-12-9-22(10-13-31)30-25(32)20-6-7-23(29-16-20)19-4-3-5-21(27)15-19/h3-8,11,14-16,22,33H,9-10,12-13,17H2,1-2H3,(H,30,32)
InChIKeyMJJPZMRNAMGJPA-UHFFFAOYSA-N
XLogP3.90
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268525) is 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is CC(C)(O)c1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccn1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is MJJPZMRNAMGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-26(2,33)24-14-18(8-11-28-24)17-31-12-9-22(10-13-31)30-25(32)20-6-7-23(29-16-20)19-4-3-5-21(27)15-19/h3-8,11,14-16,22,33H,9-10,12-13,17H2,1-2H3,(H,30,32).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).