1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide

C12H15BrClN3O — CID 103583254

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H15BrClN3O/c1-15-12(18)10-4-2-3-5-17(10)11-9(14)6-8(13)7-16-11/h6-7,10H,2-5H2,1H3,(H,15,18)
InChIKeyNNAXUHDWRUENKM-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.60
Rot. Bonds2

About 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide

1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide (PubChem CID 103583254) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
PubChem CID103583254
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H15BrClN3O/c1-15-12(18)10-4-2-3-5-17(10)11-9(14)6-8(13)7-16-11/h6-7,10H,2-5H2,1H3,(H,15,18)
InChIKeyNNAXUHDWRUENKM-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide (CID 103583254) is 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ncc(Br)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is NNAXUHDWRUENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c1-15-12(18)10-4-2-3-5-17(10)11-9(14)6-8(13)7-16-11/h6-7,10H,2-5H2,1H3,(H,15,18).
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide?
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 332.63 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103583254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).