5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H20F4N4O3 — CID 118195134

IUPAC5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(CO)C2)cc1F
InChIInChI=1S/C23H20F4N4O3/c1-13-20(24)7-15(8-28-13)19-6-16(9-29-21(19)31-10-14(11-31)12-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h2-9,14,32H,10-12H2,1H3,(H,30,33)
InChIKeyRZAIMFWNWDVOQS-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.17
Rot. Bonds6

About 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195134) has the molecular formula C23H20F4N4O3 and a molecular weight of 476.43 g/mol. Its IUPAC name is 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195134
Molecular FormulaC23H20F4N4O3
Molecular Weight476.43 g/mol
Exact Mass476.15
IUPAC Name5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(CO)C2)cc1F
InChIInChI=1S/C23H20F4N4O3/c1-13-20(24)7-15(8-28-13)19-6-16(9-29-21(19)31-10-14(11-31)12-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h2-9,14,32H,10-12H2,1H3,(H,30,33)
InChIKeyRZAIMFWNWDVOQS-UHFFFAOYSA-N
XLogP4.17
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195134) is 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(CO)C2)cc1F.
What is the InChIKey of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is RZAIMFWNWDVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O3/c1-13-20(24)7-15(8-28-13)19-6-16(9-29-21(19)31-10-14(11-31)12-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h2-9,14,32H,10-12H2,1H3,(H,30,33).
What are the key properties of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 476.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[3-(hydroxymethyl)azetidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).