3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide

C22H19F3N4O — CID 54590831

IUPAC3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)c(F)c2)c1
InChIInChI=1S/C22H19F3N4O/c23-16-9-22(10-16,19-17(24)5-2-6-27-19)12-29-21-18(25)8-15(11-28-21)13-3-1-4-14(7-13)20(26)30/h1-8,11,16H,9-10,12H2,(H2,26,30)(H,28,29)
InChIKeyWWCCSAHWCPMPHZ-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.00
Rot. Bonds6

About 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide

3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide (PubChem CID 54590831) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
PubChem CID54590831
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)c(F)c2)c1
InChIInChI=1S/C22H19F3N4O/c23-16-9-22(10-16,19-17(24)5-2-6-27-19)12-29-21-18(25)8-15(11-28-21)13-3-1-4-14(7-13)20(26)30/h1-8,11,16H,9-10,12H2,(H2,26,30)(H,28,29)
InChIKeyWWCCSAHWCPMPHZ-UHFFFAOYSA-N
XLogP4.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-(hydroxymethyl)benzamide
CID 67460243
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168
3-[3-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-triazin-6-yl]-4-hydroxybenzamide
CID 136510325
3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70975127
3-[[[6-(3-carbamoylphenyl)pyridazin-3-yl]amino]methyl]-3-(3-fluoro-2-pyridinyl)azetidine-1-carboxylic acid
CID 121281847
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
bis(N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(3-isocyanophenyl)pyridazin-3-amine);methane
CID 158601643
5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 70975198
N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 126545825
4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 71268097

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide?
The IUPAC name of 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide (CID 54590831) is 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2cnc(NCC3(c4ncccc4F)CC(F)C3)c(F)c2)c1.
What is the InChIKey of 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide?
The InChIKey is WWCCSAHWCPMPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-16-9-22(10-16,19-17(24)5-2-6-27-19)12-29-21-18(25)8-15(11-28-21)13-3-1-4-14(7-13)20(26)30/h1-8,11,16H,9-10,12H2,(H2,26,30)(H,28,29).
What are the key properties of 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide?
3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide has a molecular weight of 412.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 54590831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).