N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide

C17H16BrN3O — CID 53162952

IUPACN-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(Br)cc2)c2cccnc21
InChIInChI=1S/C17H16BrN3O/c1-2-21-11-15(14-4-3-9-19-16(14)21)17(22)20-10-12-5-7-13(18)8-6-12/h3-9,11H,2,10H2,1H3,(H,20,22)
InChIKeyFKUCYWOVPWNOFA-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.75
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162952) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162952
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC NameN-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(Br)cc2)c2cccnc21
InChIInChI=1S/C17H16BrN3O/c1-2-21-11-15(14-4-3-9-19-16(14)21)17(22)20-10-12-5-7-13(18)8-6-12/h3-9,11H,2,10H2,1H3,(H,20,22)
InChIKeyFKUCYWOVPWNOFA-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162952) is N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide is CCn1cc(C(=O)NCc2ccc(Br)cc2)c2cccnc21.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FKUCYWOVPWNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-2-21-11-15(14-4-3-9-19-16(14)21)17(22)20-10-12-5-7-13(18)8-6-12/h3-9,11H,2,10H2,1H3,(H,20,22).
What are the key properties of N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).