3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide

C21H20FN5O2 — CID 67454467

IUPAC3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1
InChIInChI=1S/C21H20FN5O2/c22-16-3-1-8-24-18(16)21(6-2-7-21)12-27-20-25-10-14(11-26-20)15-9-13(19(23)29)4-5-17(15)28/h1,3-5,8-11,28H,2,6-7,12H2,(H2,23,29)(H,25,26,27)
InChIKeyYDZIFNVXFVGJTF-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.02
Rot. Bonds6

About 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide

3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide (PubChem CID 67454467) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide
PubChem CID67454467
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1
InChIInChI=1S/C21H20FN5O2/c22-16-3-1-8-24-18(16)21(6-2-7-21)12-27-20-25-10-14(11-26-20)15-9-13(19(23)29)4-5-17(15)28/h1,3-5,8-11,28H,2,6-7,12H2,(H2,23,29)(H,25,26,27)
InChIKeyYDZIFNVXFVGJTF-UHFFFAOYSA-N
XLogP3.02
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide?
The IUPAC name of 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide (CID 67454467) is 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide?
The canonical SMILES for 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide is NC(=O)c1ccc(O)c(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1.
What is the InChIKey of 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide?
The InChIKey is YDZIFNVXFVGJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-3-1-8-24-18(16)21(6-2-7-21)12-27-20-25-10-14(11-26-20)15-9-13(19(23)29)4-5-17(15)28/h1,3-5,8-11,28H,2,6-7,12H2,(H2,23,29)(H,25,26,27).
What are the key properties of 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide?
3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide has a molecular weight of 393.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxybenzamide is sourced from PubChem (CID 67454467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).