3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide

C27H24FN5O2 — CID 46951446

IUPAC3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESO=C(Nc1cccc(Oc2cc(C3CCCNC3)nc(-c3ccncc3)n2)c1)c1cccc(F)c1
InChIInChI=1S/C27H24FN5O2/c28-21-6-1-4-19(14-21)27(34)31-22-7-2-8-23(15-22)35-25-16-24(20-5-3-11-30-17-20)32-26(33-25)18-9-12-29-13-10-18/h1-2,4,6-10,12-16,20,30H,3,5,11,17H2,(H,31,34)
InChIKeyATTNUGICEVMYBH-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.19
Rot. Bonds6

About 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide

3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 46951446) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID46951446
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESO=C(Nc1cccc(Oc2cc(C3CCCNC3)nc(-c3ccncc3)n2)c1)c1cccc(F)c1
InChIInChI=1S/C27H24FN5O2/c28-21-6-1-4-19(14-21)27(34)31-22-7-2-8-23(15-22)35-25-16-24(20-5-3-11-30-17-20)32-26(33-25)18-9-12-29-13-10-18/h1-2,4,6-10,12-16,20,30H,3,5,11,17H2,(H,31,34)
InChIKeyATTNUGICEVMYBH-UHFFFAOYSA-N
XLogP5.19
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)-3-[3-[6-[(3S)-piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-yl]oxyphenyl]urea
CID 95802139
2-(3-fluorophenoxy)-6-[(3R)-piperidin-3-yl]pyrazine
CID 124938776
N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
CID 110085480
N-(2-amino-5-fluorophenyl)-3-piperidin-3-ylbenzamide
CID 167775583
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
N-[3-[[(2-cyclopropylpyrimidin-4-yl)amino]methyl]phenyl]-3-fluorobenzamide
CID 133297956
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
3-(4-fluorophenoxy)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122284328
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide (CID 46951446) is 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide is O=C(Nc1cccc(Oc2cc(C3CCCNC3)nc(-c3ccncc3)n2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is ATTNUGICEVMYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c28-21-6-1-4-19(14-21)27(34)31-22-7-2-8-23(15-22)35-25-16-24(20-5-3-11-30-17-20)32-26(33-25)18-9-12-29-13-10-18/h1-2,4,6-10,12-16,20,30H,3,5,11,17H2,(H,31,34).
What are the key properties of 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide?
3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 469.52 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(6-piperidin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 46951446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).