N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C23H18FN5O2 — CID 71602989

IUPACN-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H18FN5O2/c1-31-21-8-7-15(22(30)27-18-6-2-5-17(24)13-18)12-20(21)29-23-26-11-9-19(28-23)16-4-3-10-25-14-16/h2-14H,1H3,(H,27,30)(H,26,28,29)
InChIKeyKOGBNTSOPZVMIK-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.68
Rot. Bonds6

About N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 71602989) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID71602989
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC NameN-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H18FN5O2/c1-31-21-8-7-15(22(30)27-18-6-2-5-17(24)13-18)12-20(21)29-23-26-11-9-19(28-23)16-4-3-10-25-14-16/h2-14H,1H3,(H,27,30)(H,26,28,29)
InChIKeyKOGBNTSOPZVMIK-UHFFFAOYSA-N
XLogP4.68
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 71602989) is N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is COc1ccc(C(=O)Nc2cccc(F)c2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is KOGBNTSOPZVMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-31-21-8-7-15(22(30)27-18-6-2-5-17(24)13-18)12-20(21)29-23-26-11-9-19(28-23)16-4-3-10-25-14-16/h2-14H,1H3,(H,27,30)(H,26,28,29).
What are the key properties of N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 415.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 71602989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).