6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide

C14H20BrN3O — CID 66462526

IUPAC6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(Br)nc2)CC1
InChIInChI=1S/C14H20BrN3O/c1-10(2)18-7-5-12(6-8-18)17-14(19)11-3-4-13(15)16-9-11/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,19)
InChIKeyCAZWKWOJOSRGOS-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.45
Rot. Bonds3

About 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide

6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 66462526) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID66462526
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(Br)nc2)CC1
InChIInChI=1S/C14H20BrN3O/c1-10(2)18-7-5-12(6-8-18)17-14(19)11-3-4-13(15)16-9-11/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,19)
InChIKeyCAZWKWOJOSRGOS-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
methyl 4-[(6-bromopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115669882
4-(2-methylbutanoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 168882317
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
2-bromo-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 51219889
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-bromopyridine-3-carboxamide
CID 66464440
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532478
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide (CID 66462526) is 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide is CC(C)N1CCC(NC(=O)c2ccc(Br)nc2)CC1.
What is the InChIKey of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is CAZWKWOJOSRGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10(2)18-7-5-12(6-8-18)17-14(19)11-3-4-13(15)16-9-11/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,19).
What are the key properties of 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide?
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-propan-2-ylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66462526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).