N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide

C22H17BrN4O3 — CID 55792056

IUPACN'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c2ccccc21
InChIInChI=1S/C22H17BrN4O3/c1-27-13-18(17-4-2-3-5-19(17)27)22(29)26-25-21(28)14-6-11-20(24-12-14)30-16-9-7-15(23)8-10-16/h2-13H,1H3,(H,25,28)(H,26,29)
InChIKeyJVFZRLQOFFAYOP-UHFFFAOYSA-N
MW465.31 g/mol
LogP4.20
Rot. Bonds4

About N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide

N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide (PubChem CID 55792056) has the molecular formula C22H17BrN4O3 and a molecular weight of 465.31 g/mol. Its IUPAC name is N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide
PubChem CID55792056
Molecular FormulaC22H17BrN4O3
Molecular Weight465.31 g/mol
Exact Mass464.05
IUPAC NameN'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c2ccccc21
InChIInChI=1S/C22H17BrN4O3/c1-27-13-18(17-4-2-3-5-19(17)27)22(29)26-25-21(28)14-6-11-20(24-12-14)30-16-9-7-15(23)8-10-16/h2-13H,1H3,(H,25,28)(H,26,29)
InChIKeyJVFZRLQOFFAYOP-UHFFFAOYSA-N
XLogP4.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide (CID 55792056) is N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c2ccccc21.
What is the InChIKey of N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide?
The InChIKey is JVFZRLQOFFAYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O3/c1-27-13-18(17-4-2-3-5-19(17)27)22(29)26-25-21(28)14-6-11-20(24-12-14)30-16-9-7-15(23)8-10-16/h2-13H,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide?
N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide has a molecular weight of 465.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 55792056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).