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

C16H15N3O — CID 59268074

IUPACN-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C16H15N3O/c1-11(20)19(2)15-6-4-3-5-13(15)12-7-9-17-16-14(12)8-10-18-16/h3-10H,1-2H3,(H,17,18)
InChIKeyPUQVIAPGDYQHLS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.21
Rot. Bonds2

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

N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide (PubChem CID 59268074) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
PubChem CID59268074
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)N(C)c1ccccc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C16H15N3O/c1-11(20)19(2)15-6-4-3-5-13(15)12-7-9-17-16-14(12)8-10-18-16/h3-10H,1-2H3,(H,17,18)
InChIKeyPUQVIAPGDYQHLS-UHFFFAOYSA-N
XLogP3.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The IUPAC name of N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide (CID 59268074) is N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide is CC(=O)N(C)c1ccccc1-c1ccnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The InChIKey is PUQVIAPGDYQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11(20)19(2)15-6-4-3-5-13(15)12-7-9-17-16-14(12)8-10-18-16/h3-10H,1-2H3,(H,17,18).
What are the key properties of N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide has a molecular weight of 265.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide is sourced from PubChem (CID 59268074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).