3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide

C19H21N3O — CID 90556279

IUPAC3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCn2ccc3cccnc32)c1
InChIInChI=1S/C19H21N3O/c1-14-11-15(2)13-17(12-14)19(23)21-8-4-9-22-10-6-16-5-3-7-20-18(16)22/h3,5-7,10-13H,4,8-9H2,1-2H3,(H,21,23)
InChIKeyLSRIOMVQHRGHQU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.47
Rot. Bonds5

About 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide

3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide (PubChem CID 90556279) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
PubChem CID90556279
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCn2ccc3cccnc32)c1
InChIInChI=1S/C19H21N3O/c1-14-11-15(2)13-17(12-14)19(23)21-8-4-9-22-10-6-16-5-3-7-20-18(16)22/h3,5-7,10-13H,4,8-9H2,1-2H3,(H,21,23)
InChIKeyLSRIOMVQHRGHQU-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
2-phenyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 90556234
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
CID 90556383
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
CID 90556350
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide
CID 59034901
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556340
ethyl 4-pyrrolo[2,3-b]pyridin-1-ylbutanoate
CID 58803600
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide (CID 90556279) is 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide is Cc1cc(C)cc(C(=O)NCCCn2ccc3cccnc32)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The InChIKey is LSRIOMVQHRGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-11-15(2)13-17(12-14)19(23)21-8-4-9-22-10-6-16-5-3-7-20-18(16)22/h3,5-7,10-13H,4,8-9H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide is sourced from PubChem (CID 90556279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).