N-benzyl-5-bromopyridine-3-carboxamide

C13H11BrN2O — CID 835760

IUPACN-benzyl-5-bromopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C13H11BrN2O/c14-12-6-11(8-15-9-12)13(17)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,16,17)
InChIKeyCTVYYGDKDNYJPO-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.77
Rot. Bonds3

About N-benzyl-5-bromopyridine-3-carboxamide

N-benzyl-5-bromopyridine-3-carboxamide (PubChem CID 835760) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-benzyl-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromopyridine-3-carboxamide
PubChem CID835760
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-benzyl-5-bromopyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C13H11BrN2O/c14-12-6-11(8-15-9-12)13(17)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,16,17)
InChIKeyCTVYYGDKDNYJPO-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromopyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-bromopyridine-3-carboxamide (CID 835760) is N-benzyl-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-bromopyridine-3-carboxamide is O=C(NCc1ccccc1)c1cncc(Br)c1.
What is the InChIKey of N-benzyl-5-bromopyridine-3-carboxamide?
The InChIKey is CTVYYGDKDNYJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-12-6-11(8-15-9-12)13(17)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,16,17).
What are the key properties of N-benzyl-5-bromopyridine-3-carboxamide?
N-benzyl-5-bromopyridine-3-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 835760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).