4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide

C12H16BrN3O — CID 170181761

IUPAC4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc(Br)ccn1
InChIInChI=1S/C12H16BrN3O/c13-10-3-6-15-11(7-10)12(17)16-8-9-1-4-14-5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H,16,17)
InChIKeyQZHFFAHYZMFLGR-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.57
Rot. Bonds3

About 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide

4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 170181761) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID170181761
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc(Br)ccn1
InChIInChI=1S/C12H16BrN3O/c13-10-3-6-15-11(7-10)12(17)16-8-9-1-4-14-5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H,16,17)
InChIKeyQZHFFAHYZMFLGR-UHFFFAOYSA-N
XLogP1.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
N-(cyclohexylmethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62169507
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 91645277
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
N-(2-piperidin-4-ylethyl)pyridine-2-carboxamide
CID 21497163
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide (CID 170181761) is 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCNCC1)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is QZHFFAHYZMFLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-10-3-6-15-11(7-10)12(17)16-8-9-1-4-14-5-2-9/h3,6-7,9,14H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide?
4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170181761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).