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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Related Compounds

N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 58897016
N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
CID 166358700
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 58896795
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685
N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483005
1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazole-3-carboxylic acid
CID 122558338
8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide
CID 161268157
N-methyl-N-(2-methylpropyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrole-2-carboxamide
CID 58897072

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).