6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

C27H25FN6O2 — CID 67267289

IUPAC6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(OCc3ccccn3)ncn2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H25FN6O2/c28-21-5-3-4-19(14-21)24-8-7-20(16-30-24)27(35)33-22-9-12-34(13-10-22)25-15-26(32-18-31-25)36-17-23-6-1-2-11-29-23/h1-8,11,14-16,18,22H,9-10,12-13,17H2,(H,33,35)
InChIKeyPYTVYUVSXUGUKD-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.05
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267289) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267289
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(OCc3ccccn3)ncn2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C27H25FN6O2/c28-21-5-3-4-19(14-21)24-8-7-20(16-30-24)27(35)33-22-9-12-34(13-10-22)25-15-26(32-18-31-25)36-17-23-6-1-2-11-29-23/h1-8,11,14-16,18,22H,9-10,12-13,17H2,(H,33,35)
InChIKeyPYTVYUVSXUGUKD-UHFFFAOYSA-N
XLogP4.05
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267289) is 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2cc(OCc3ccccn3)ncn2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is PYTVYUVSXUGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c28-21-5-3-4-19(14-21)24-8-7-20(16-30-24)27(35)33-22-9-12-34(13-10-22)25-15-26(32-18-31-25)36-17-23-6-1-2-11-29-23/h1-8,11,14-16,18,22H,9-10,12-13,17H2,(H,33,35).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[6-(pyridin-2-ylmethoxy)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).