4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide

C17H15BrClN3O — CID 142600316

IUPAC4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2c(Br)cncc2n1C)c1cccc(Cl)c1
InChIInChI=1S/C17H15BrClN3O/c1-10(11-4-3-5-12(19)6-11)21-17(23)15-7-13-14(18)8-20-9-16(13)22(15)2/h3-10H,1-2H3,(H,21,23)/t10-/m0/s1
InChIKeyAPZGDJILYHUBGS-JTQLQIEISA-N
MW392.68 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide

4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 142600316) has the molecular formula C17H15BrClN3O and a molecular weight of 392.68 g/mol. Its IUPAC name is 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID142600316
Molecular FormulaC17H15BrClN3O
Molecular Weight392.68 g/mol
Exact Mass391.01
IUPAC Name4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2c(Br)cncc2n1C)c1cccc(Cl)c1
InChIInChI=1S/C17H15BrClN3O/c1-10(11-4-3-5-12(19)6-11)21-17(23)15-7-13-14(18)8-20-9-16(13)22(15)2/h3-10H,1-2H3,(H,21,23)/t10-/m0/s1
InChIKeyAPZGDJILYHUBGS-JTQLQIEISA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 26907996
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide (CID 142600316) is 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide is C[C@H](NC(=O)c1cc2c(Br)cncc2n1C)c1cccc(Cl)c1.
What is the InChIKey of 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is APZGDJILYHUBGS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15BrClN3O/c1-10(11-4-3-5-12(19)6-11)21-17(23)15-7-13-14(18)8-20-9-16(13)22(15)2/h3-10H,1-2H3,(H,21,23)/t10-/m0/s1.
What are the key properties of 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide?
4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 392.68 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 142600316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).