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

C21H19F2N5O — CID 71268097

IUPAC4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(F)c(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1
InChIInChI=1S/C21H19F2N5O/c22-16-5-4-13(19(24)29)9-15(16)14-10-26-20(27-11-14)28-12-21(6-2-7-21)18-17(23)3-1-8-25-18/h1,3-5,8-11H,2,6-7,12H2,(H2,24,29)(H,26,27,28)
InChIKeyGVALDHCSWANPJG-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.45
Rot. Bonds6

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

4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide (PubChem CID 71268097) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
PubChem CID71268097
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(F)c(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1
InChIInChI=1S/C21H19F2N5O/c22-16-5-4-13(19(24)29)9-15(16)14-10-26-20(27-11-14)28-12-21(6-2-7-21)18-17(23)3-1-8-25-18/h1,3-5,8-11H,2,6-7,12H2,(H2,24,29)(H,26,27,28)
InChIKeyGVALDHCSWANPJG-UHFFFAOYSA-N
XLogP3.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 126545825
4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide
CID 71469152
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-(hydroxymethyl)benzamide
CID 67460243
3-[3-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-triazin-6-yl]-4-hydroxybenzamide
CID 136510325
4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974823
3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70975127
4-fluoro-3-[3-[(1-pyridin-2-ylcyclobutyl)methylamino]-1,2,4-triazin-6-yl]benzoic acid
CID 118467349
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036
3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
CID 54590831
1-[2-[[1-(3-phosphanyl-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrazole-4-carboxamide
CID 126546297
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide (CID 71268097) is 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide is NC(=O)c1ccc(F)c(-c2cnc(NCC3(c4ncccc4F)CCC3)nc2)c1.
What is the InChIKey of 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
The InChIKey is GVALDHCSWANPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-16-5-4-13(19(24)29)9-15(16)14-10-26-20(27-11-14)28-12-21(6-2-7-21)18-17(23)3-1-8-25-18/h1,3-5,8-11H,2,6-7,12H2,(H2,24,29)(H,26,27,28).
What are the key properties of 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide?
4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide has a molecular weight of 395.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 71268097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).