N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide

C20H22FN3O3 — CID 136967668

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(-c3cc(F)ccc3O)nc2)CC1
InChIInChI=1S/C20H22FN3O3/c1-13(25)24-8-6-14(7-9-24)11-23-20(27)15-2-4-18(22-12-15)17-10-16(21)3-5-19(17)26/h2-5,10,12,14,26H,6-9,11H2,1H3,(H,23,27)
InChIKeyRRUPCBFOQFXTNO-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.58
Rot. Bonds4

About N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide (PubChem CID 136967668) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide
PubChem CID136967668
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(-c3cc(F)ccc3O)nc2)CC1
InChIInChI=1S/C20H22FN3O3/c1-13(25)24-8-6-14(7-9-24)11-23-20(27)15-2-4-18(22-12-15)17-10-16(21)3-5-19(17)26/h2-5,10,12,14,26H,6-9,11H2,1H3,(H,23,27)
InChIKeyRRUPCBFOQFXTNO-UHFFFAOYSA-N
XLogP2.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide (CID 136967668) is N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide is CC(=O)N1CCC(CNC(=O)c2ccc(-c3cc(F)ccc3O)nc2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide?
The InChIKey is RRUPCBFOQFXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-13(25)24-8-6-14(7-9-24)11-23-20(27)15-2-4-18(22-12-15)17-10-16(21)3-5-19(17)26/h2-5,10,12,14,26H,6-9,11H2,1H3,(H,23,27).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-6-(5-fluoro-2-hydroxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 136967668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).