2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide

C19H21N3O — CID 53145033

IUPAC2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cn(C)c3ncccc23)c(C)c1
InChIInChI=1S/C19H21N3O/c1-13-6-7-16(14(2)11-13)19(23)21-10-8-15-12-22(3)18-17(15)5-4-9-20-18/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,23)
InChIKeyXWXSDWZZKFLTJV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.16
Rot. Bonds4

About 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide

2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide (PubChem CID 53145033) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
PubChem CID53145033
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cn(C)c3ncccc23)c(C)c1
InChIInChI=1S/C19H21N3O/c1-13-6-7-16(14(2)11-13)19(23)21-10-8-15-12-22(3)18-17(15)5-4-9-20-18/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,23)
InChIKeyXWXSDWZZKFLTJV-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide (CID 53145033) is 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2cn(C)c3ncccc23)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The InChIKey is XWXSDWZZKFLTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-6-7-16(14(2)11-13)19(23)21-10-8-15-12-22(3)18-17(15)5-4-9-20-18/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 53145033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).