2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide

C23H25FN4O — CID 138584923

IUPAC2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1cccc(F)c1C(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(C)CC1
InChIInChI=1S/C23H25FN4O/c1-17-7-6-10-20(24)22(17)23(29)28(19-11-14-26(2)15-12-19)21-13-16-27(25-21)18-8-4-3-5-9-18/h3-10,13,16,19H,11-12,14-15H2,1-2H3
InChIKeyRJSGPZSKQZVFFC-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.06
Rot. Bonds4

About 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide

2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 138584923) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID138584923
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide
SMILESCc1cccc(F)c1C(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(C)CC1
InChIInChI=1S/C23H25FN4O/c1-17-7-6-10-20(24)22(17)23(29)28(19-11-14-26(2)15-12-19)21-13-16-27(25-21)18-8-4-3-5-9-18/h3-10,13,16,19H,11-12,14-15H2,1-2H3
InChIKeyRJSGPZSKQZVFFC-UHFFFAOYSA-N
XLogP4.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide (CID 138584923) is 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide is Cc1cccc(F)c1C(=O)N(c1ccn(-c2ccccc2)n1)C1CCN(C)CC1.
What is the InChIKey of 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is RJSGPZSKQZVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-17-7-6-10-20(24)22(17)23(29)28(19-11-14-26(2)15-12-19)21-13-16-27(25-21)18-8-4-3-5-9-18/h3-10,13,16,19H,11-12,14-15H2,1-2H3.
What are the key properties of 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide?
2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 138584923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).