N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C23H23F3N4O4 — CID 71449284

IUPACN-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc(OC)c2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C23H23F3N4O4/c1-32-19-5-3-4-17(16-13-29-22(33-2)30-14-16)18(19)8-10-27-21(31)15-6-7-20(28-12-15)34-11-9-23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)
InChIKeyNWLYBHCVXZLMIC-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.86
Rot. Bonds10

About N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71449284) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71449284
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC NameN-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc(OC)c2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C23H23F3N4O4/c1-32-19-5-3-4-17(16-13-29-22(33-2)30-14-16)18(19)8-10-27-21(31)15-6-7-20(28-12-15)34-11-9-23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)
InChIKeyNWLYBHCVXZLMIC-UHFFFAOYSA-N
XLogP3.86
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71449284) is N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is COc1ncc(-c2cccc(OC)c2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1.
What is the InChIKey of N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is NWLYBHCVXZLMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-32-19-5-3-4-17(16-13-29-22(33-2)30-14-16)18(19)8-10-27-21(31)15-6-7-20(28-12-15)34-11-9-23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxy-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71449284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).