2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C23H23FN4O2 — CID 134478391

IUPAC2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)C1
InChIInChI=1S/C23H23FN4O2/c1-15-3-2-12-28(14-15)21-13-20(22(25)29)26-23(27-21)16-4-8-18(9-5-16)30-19-10-6-17(24)7-11-19/h4-11,13,15H,2-3,12,14H2,1H3,(H2,25,29)
InChIKeyVLMSPACLGIEVMF-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.41
Rot. Bonds5

About 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 134478391) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID134478391
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)C1
InChIInChI=1S/C23H23FN4O2/c1-15-3-2-12-28(14-15)21-13-20(22(25)29)26-23(27-21)16-4-8-18(9-5-16)30-19-10-6-17(24)7-11-19/h4-11,13,15H,2-3,12,14H2,1H3,(H2,25,29)
InChIKeyVLMSPACLGIEVMF-UHFFFAOYSA-N
XLogP4.41
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 134478391) is 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)C1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is VLMSPACLGIEVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15-3-2-12-28(14-15)21-13-20(22(25)29)26-23(27-21)16-4-8-18(9-5-16)30-19-10-6-17(24)7-11-19/h4-11,13,15H,2-3,12,14H2,1H3,(H2,25,29).
What are the key properties of 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134478391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).