N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide

C16H15N3O2 — CID 175464575

IUPACN-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C16H15N3O2/c1-10(20)19-13-3-4-14(15(8-13)21-2)12-7-11-5-6-17-16(11)18-9-12/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRUUXYUSLZPPUFA-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.20
Rot. Bonds3

About N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide

N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (PubChem CID 175464575) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
PubChem CID175464575
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C16H15N3O2/c1-10(20)19-13-3-4-14(15(8-13)21-2)12-7-11-5-6-17-16(11)18-9-12/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyRUUXYUSLZPPUFA-UHFFFAOYSA-N
XLogP3.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
CID 175464314
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopropanecarboxamide
CID 175464351
2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464337
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284
ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 144694036
5-[4-methoxy-2-methyl-3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 151255740
N-[3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10064728
N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide
CID 135987444
2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 86634456
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The IUPAC name of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide (CID 175464575) is N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is COc1cc(NC(C)=O)ccc1-c1cnc2[nH]ccc2c1.
What is the InChIKey of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
The InChIKey is RUUXYUSLZPPUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(20)19-13-3-4-14(15(8-13)21-2)12-7-11-5-6-17-16(11)18-9-12/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide?
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide is sourced from PubChem (CID 175464575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).