5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

C19H23BrN3O+ — CID 8968923

IUPAC5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1C[NH+]1CCCCC1)c1cncc(Br)c1
InChIInChI=1S/C19H22BrN3O/c20-18-10-17(11-21-13-18)19(24)22-12-15-6-2-3-7-16(15)14-23-8-4-1-5-9-23/h2-3,6-7,10-11,13H,1,4-5,8-9,12,14H2,(H,22,24)/p+1
InChIKeyKJRYZATVGPMIHK-UHFFFAOYSA-O
MW389.32 g/mol
LogP2.34
Rot. Bonds5

About 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 8968923) has the molecular formula C19H23BrN3O+ and a molecular weight of 389.32 g/mol. Its IUPAC name is 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID8968923
Molecular FormulaC19H23BrN3O+
Molecular Weight389.32 g/mol
Exact Mass388.10
IUPAC Name5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1C[NH+]1CCCCC1)c1cncc(Br)c1
InChIInChI=1S/C19H22BrN3O/c20-18-10-17(11-21-13-18)19(24)22-12-15-6-2-3-7-16(15)14-23-8-4-1-5-9-23/h2-3,6-7,10-11,13H,1,4-5,8-9,12,14H2,(H,22,24)/p+1
InChIKeyKJRYZATVGPMIHK-UHFFFAOYSA-O
XLogP2.34
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 32602395
4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8969424
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9142461
3-methyl-4-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8968886
2-(3-bromophenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8968862
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
5-acetyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 9069255
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide
CID 6945505
5-bromo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 24632147
3-[methoxy(methyl)sulfamoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9143604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 8968923) is 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KJRYZATVGPMIHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22BrN3O/c20-18-10-17(11-21-13-18)19(24)22-12-15-6-2-3-7-16(15)14-23-8-4-1-5-9-23/h2-3,6-7,10-11,13H,1,4-5,8-9,12,14H2,(H,22,24)/p+1.
What are the key properties of 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 389.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 8968923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).