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

C16H15N3O — CID 134806364

IUPAC2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCc1cccc(-c2cnc3[nH]cc(CC(N)=O)c3c2)c1
InChIInChI=1S/C16H15N3O/c1-10-3-2-4-11(5-10)12-6-14-13(7-15(17)20)9-19-16(14)18-8-12/h2-6,8-9H,7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyDNXBLNBGNAOCHD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.57
Rot. Bonds3

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

2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134806364) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134806364
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCc1cccc(-c2cnc3[nH]cc(CC(N)=O)c3c2)c1
InChIInChI=1S/C16H15N3O/c1-10-3-2-4-11(5-10)12-6-14-13(7-15(17)20)9-19-16(14)18-8-12/h2-6,8-9H,7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyDNXBLNBGNAOCHD-UHFFFAOYSA-N
XLogP2.57
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 155540633
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]acetamide
CID 139606187
N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane
CID 162248609
(E)-3-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118254297
5-(3-dimethylphosphoryl-5-methylphenyl)-3-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 155462281
2-(5-phenyl-1H-indol-3-yl)acetamide
CID 67245791
N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
CID 123870787
ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 144735542
(E)-3-[5-(3,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705584

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134806364) is 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is Cc1cccc(-c2cnc3[nH]cc(CC(N)=O)c3c2)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is DNXBLNBGNAOCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-3-2-4-11(5-10)12-6-14-13(7-15(17)20)9-19-16(14)18-8-12/h2-6,8-9H,7H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 265.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134806364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).