5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide

C12H13BrClN3O2 — CID 64670012

IUPAC5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CC(NC(=O)c2cc(Br)cnc2Cl)CCC1=O
InChIInChI=1S/C12H13BrClN3O2/c1-17-6-8(2-3-10(17)18)16-12(19)9-4-7(13)5-15-11(9)14/h4-5,8H,2-3,6H2,1H3,(H,16,19)
InChIKeyNVATVDSXEAYROX-UHFFFAOYSA-N
MW346.61 g/mol
LogP1.85
Rot. Bonds2

About 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 64670012) has the molecular formula C12H13BrClN3O2 and a molecular weight of 346.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
PubChem CID64670012
Molecular FormulaC12H13BrClN3O2
Molecular Weight346.61 g/mol
Exact Mass344.99
IUPAC Name5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
SMILESCN1CC(NC(=O)c2cc(Br)cnc2Cl)CCC1=O
InChIInChI=1S/C12H13BrClN3O2/c1-17-6-8(2-3-10(17)18)16-12(19)9-4-7(13)5-15-11(9)14/h4-5,8H,2-3,6H2,1H3,(H,16,19)
InChIKeyNVATVDSXEAYROX-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 51.85
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

5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 96505596
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)-5-nitropyridine-4-carboxamide
CID 103733913
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 100756034
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
CID 106854038
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide (CID 64670012) is 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide is CN1CC(NC(=O)c2cc(Br)cnc2Cl)CCC1=O.
What is the InChIKey of 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is NVATVDSXEAYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O2/c1-17-6-8(2-3-10(17)18)16-12(19)9-4-7(13)5-15-11(9)14/h4-5,8H,2-3,6H2,1H3,(H,16,19).
What are the key properties of 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 346.61 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 64670012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).