N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C16H14BrN3O — CID 53144470

IUPACN-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NCc1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c17-13-4-1-3-11(7-13)9-19-15(21)8-12-10-20-16-14(12)5-2-6-18-16/h1-7,10H,8-9H2,(H,18,20)(H,19,21)
InChIKeyMHUCHASPXFNBJL-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 53144470) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID53144470
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NCc1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c17-13-4-1-3-11(7-13)9-19-15(21)8-12-10-20-16-14(12)5-2-6-18-16/h1-7,10H,8-9H2,(H,18,20)(H,19,21)
InChIKeyMHUCHASPXFNBJL-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 53144470) is N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2ncccc12)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is MHUCHASPXFNBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-4-1-3-11(7-13)9-19-15(21)8-12-10-20-16-14(12)5-2-6-18-16/h1-7,10H,8-9H2,(H,18,20)(H,19,21).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 53144470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).