3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide

C17H19BrN4O — CID 122299943

IUPAC3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
SMILESCC1CCN(c2ncc(NC(=O)c3cccc(Br)c3)cn2)CC1
InChIInChI=1S/C17H19BrN4O/c1-12-5-7-22(8-6-12)17-19-10-15(11-20-17)21-16(23)13-3-2-4-14(18)9-13/h2-4,9-12H,5-8H2,1H3,(H,21,23)
InChIKeyWYJNIFLYYBKTJO-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.73
Rot. Bonds3

About 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide

3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122299943) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122299943
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
SMILESCC1CCN(c2ncc(NC(=O)c3cccc(Br)c3)cn2)CC1
InChIInChI=1S/C17H19BrN4O/c1-12-5-7-22(8-6-12)17-19-10-15(11-20-17)21-16(23)13-3-2-4-14(18)9-13/h2-4,9-12H,5-8H2,1H3,(H,21,23)
InChIKeyWYJNIFLYYBKTJO-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299547
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264504
3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 122298143
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
CID 122299621
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122299773
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-2-carboxamide
CID 122299715

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide (CID 122299943) is 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide is CC1CCN(c2ncc(NC(=O)c3cccc(Br)c3)cn2)CC1.
What is the InChIKey of 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is WYJNIFLYYBKTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-5-7-22(8-6-12)17-19-10-15(11-20-17)21-16(23)13-3-2-4-14(18)9-13/h2-4,9-12H,5-8H2,1H3,(H,21,23).
What are the key properties of 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide?
3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122299943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).