3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide

C18H16BrN3O3 — CID 10309712

IUPAC3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide
SMILESCCCNC(=O)N1C(=O)C(C(=O)c2cncc(Br)c2)c2ccccc21
InChIInChI=1S/C18H16BrN3O3/c1-2-7-21-18(25)22-14-6-4-3-5-13(14)15(17(22)24)16(23)11-8-12(19)10-20-9-11/h3-6,8-10,15H,2,7H2,1H3,(H,21,25)
InChIKeyBOYJTCXZTNLODX-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.28
Rot. Bonds4

About 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide

3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide (PubChem CID 10309712) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide.

Molecular Properties

Compound Name3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide
PubChem CID10309712
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide
SMILESCCCNC(=O)N1C(=O)C(C(=O)c2cncc(Br)c2)c2ccccc21
InChIInChI=1S/C18H16BrN3O3/c1-2-7-21-18(25)22-14-6-4-3-5-13(14)15(17(22)24)16(23)11-8-12(19)10-20-9-11/h3-6,8-10,15H,2,7H2,1H3,(H,21,25)
InChIKeyBOYJTCXZTNLODX-UHFFFAOYSA-N
XLogP3.28
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide?
The IUPAC name of 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide (CID 10309712) is 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide.
What is the SMILES notation for 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide?
The canonical SMILES for 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide is CCCNC(=O)N1C(=O)C(C(=O)c2cncc(Br)c2)c2ccccc21.
What is the InChIKey of 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide?
The InChIKey is BOYJTCXZTNLODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-2-7-21-18(25)22-14-6-4-3-5-13(14)15(17(22)24)16(23)11-8-12(19)10-20-9-11/h3-6,8-10,15H,2,7H2,1H3,(H,21,25).
What are the key properties of 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide?
3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyridine-3-carbonyl)-2-oxo-N-propyl-3H-indole-1-carboxamide is sourced from PubChem (CID 10309712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).