3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

C16H14BrN3O — CID 107518048

IUPAC3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ncccc1Br
InChIInChI=1S/C16H14BrN3O/c17-13-5-3-8-18-15(13)16(21)19-9-7-11-10-20-14-6-2-1-4-12(11)14/h1-6,8,10,20H,7,9H2,(H,19,21)
InChIKeyVNXRWVLQYUBNLT-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.30
Rot. Bonds4

About 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 107518048) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID107518048
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ncccc1Br
InChIInChI=1S/C16H14BrN3O/c17-13-5-3-8-18-15(13)16(21)19-9-7-11-10-20-14-6-2-1-4-12(11)14/h1-6,8,10,20H,7,9H2,(H,19,21)
InChIKeyVNXRWVLQYUBNLT-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
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2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702006
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 107518048) is 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is VNXRWVLQYUBNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-5-3-8-18-15(13)16(21)19-9-7-11-10-20-14-6-2-1-4-12(11)14/h1-6,8,10,20H,7,9H2,(H,19,21).
What are the key properties of 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).