3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide

C19H19BrN4O — CID 121108956

IUPAC3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H19BrN4O/c20-17-5-1-3-15(11-17)19(25)23-13-14-6-9-24(10-7-14)18-16(12-21)4-2-8-22-18/h1-5,8,11,14H,6-7,9-10,13H2,(H,23,25)
InChIKeyKMCCCCHDZJKERC-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide

3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide (PubChem CID 121108956) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
PubChem CID121108956
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H19BrN4O/c20-17-5-1-3-15(11-17)19(25)23-13-14-6-9-24(10-7-14)18-16(12-21)4-2-8-22-18/h1-5,8,11,14H,6-7,9-10,13H2,(H,23,25)
InChIKeyKMCCCCHDZJKERC-UHFFFAOYSA-N
XLogP3.36
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109949
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 72716918
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,3-dimethoxybenzamide
CID 121108934
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide (CID 121108956) is 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide is N#Cc1cccnc1N1CCC(CNC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is KMCCCCHDZJKERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c20-17-5-1-3-15(11-17)19(25)23-13-14-6-9-24(10-7-14)18-16(12-21)4-2-8-22-18/h1-5,8,11,14H,6-7,9-10,13H2,(H,23,25).
What are the key properties of 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide?
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 399.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 121108956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).