N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C16H16N4O — CID 134811226

IUPACN,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(C)C(=O)Cc1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C16H16N4O/c1-20(2)15(21)7-13-10-19-16-14(13)6-12(9-18-16)11-4-3-5-17-8-11/h3-6,8-10H,7H2,1-2H3,(H,18,19)
InChIKeyUZORQWINDHNWRR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.26
Rot. Bonds3

About N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 134811226) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID134811226
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(C)C(=O)Cc1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C16H16N4O/c1-20(2)15(21)7-13-10-19-16-14(13)6-12(9-18-16)11-4-3-5-17-8-11/h3-6,8-10H,7H2,1-2H3,(H,18,19)
InChIKeyUZORQWINDHNWRR-UHFFFAOYSA-N
XLogP2.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 134811226) is N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CN(C)C(=O)Cc1c[nH]c2ncc(-c3cccnc3)cc12.
What is the InChIKey of N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is UZORQWINDHNWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)15(21)7-13-10-19-16-14(13)6-12(9-18-16)11-4-3-5-17-8-11/h3-6,8-10H,7H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 134811226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).