2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide

C26H28FN5O3 — CID 164628497

IUPAC2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cncc(OCC3CCN(Cc4ccc(F)cc4)CC3)c2)ccn1
InChIInChI=1S/C26H28FN5O3/c1-18(33)30-25-12-21(6-9-29-25)26(34)31-23-13-24(15-28-14-23)35-17-20-7-10-32(11-8-20)16-19-2-4-22(27)5-3-19/h2-6,9,12-15,20H,7-8,10-11,16-17H2,1H3,(H,31,34)(H,29,30,33)
InChIKeyIGURROANDGIDJI-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.12
Rot. Bonds8

About 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide

2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 164628497) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
PubChem CID164628497
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cncc(OCC3CCN(Cc4ccc(F)cc4)CC3)c2)ccn1
InChIInChI=1S/C26H28FN5O3/c1-18(33)30-25-12-21(6-9-29-25)26(34)31-23-13-24(15-28-14-23)35-17-20-7-10-32(11-8-20)16-19-2-4-22(27)5-3-19/h2-6,9,12-15,20H,7-8,10-11,16-17H2,1H3,(H,31,34)(H,29,30,33)
InChIKeyIGURROANDGIDJI-UHFFFAOYSA-N
XLogP4.12
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide (CID 164628497) is 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)Nc2cncc(OCC3CCN(Cc4ccc(F)cc4)CC3)c2)ccn1.
What is the InChIKey of 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is IGURROANDGIDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-18(33)30-25-12-21(6-9-29-25)26(34)31-23-13-24(15-28-14-23)35-17-20-7-10-32(11-8-20)16-19-2-4-22(27)5-3-19/h2-6,9,12-15,20H,7-8,10-11,16-17H2,1H3,(H,31,34)(H,29,30,33).
What are the key properties of 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide?
2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 164628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).