N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C18H20N4O — CID 126774233

IUPACN-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCC(c1ccncc1)N(C)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C18H20N4O/c1-3-16(13-6-9-19-10-7-13)22(2)17(23)11-14-12-21-18-15(14)5-4-8-20-18/h4-10,12,16H,3,11H2,1-2H3,(H,20,21)
InChIKeyVEMWSXXTKLLZNN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 126774233) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID126774233
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCC(c1ccncc1)N(C)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C18H20N4O/c1-3-16(13-6-9-19-10-7-13)22(2)17(23)11-14-12-21-18-15(14)5-4-8-20-18/h4-10,12,16H,3,11H2,1-2H3,(H,20,21)
InChIKeyVEMWSXXTKLLZNN-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 126774233) is N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CCC(c1ccncc1)N(C)C(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is VEMWSXXTKLLZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-16(13-6-9-19-10-7-13)22(2)17(23)11-14-12-21-18-15(14)5-4-8-20-18/h4-10,12,16H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-4-ylpropyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 126774233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).