2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

C12H16BrN3O — CID 103752018

IUPAC2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C12H16BrN3O/c1-16-6-3-10(4-7-16)15-12(17)9-2-5-14-11(13)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,17)
InChIKeyKQAMFNDEEWSJPM-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.67
Rot. Bonds2

About 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide

2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (PubChem CID 103752018) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
PubChem CID103752018
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C12H16BrN3O/c1-16-6-3-10(4-7-16)15-12(17)9-2-5-14-11(13)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,17)
InChIKeyKQAMFNDEEWSJPM-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.67
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

2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 103754705
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 103752412
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 103755142
2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116342
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide (CID 103752018) is 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is CN1CCC(NC(=O)c2ccnc(Br)c2)CC1.
What is the InChIKey of 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
The InChIKey is KQAMFNDEEWSJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-16-6-3-10(4-7-16)15-12(17)9-2-5-14-11(13)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,17).
What are the key properties of 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide?
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103752018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).