5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide

C16H16BrN3O — CID 53251096

IUPAC5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1ccc(Br)cn1
InChIInChI=1S/C16H16BrN3O/c17-13-3-6-15(19-10-13)16(21)20-14-4-1-11(2-5-14)12-7-8-18-9-12/h1-6,10,12,18H,7-9H2,(H,20,21)
InChIKeyDYJWIBPCYHSFLG-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide

5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide (PubChem CID 53251096) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide
PubChem CID53251096
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1ccc(Br)cn1
InChIInChI=1S/C16H16BrN3O/c17-13-3-6-15(19-10-13)16(21)20-14-4-1-11(2-5-14)12-7-8-18-9-12/h1-6,10,12,18H,7-9H2,(H,20,21)
InChIKeyDYJWIBPCYHSFLG-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide (CID 53251096) is 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(C2CCNC2)cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide?
The InChIKey is DYJWIBPCYHSFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-13-3-6-15(19-10-13)16(21)20-14-4-1-11(2-5-14)12-7-8-18-9-12/h1-6,10,12,18H,7-9H2,(H,20,21).
What are the key properties of 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide?
5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide has a molecular weight of 346.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-pyrrolidin-3-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 53251096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).