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

C15H12N4O3 — CID 151041483

IUPAC2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2cc3cc([N+](=O)[O-])cnc3[nH]2)c1
InChIInChI=1S/C15H12N4O3/c16-14(20)5-9-2-1-3-10(4-9)13-7-11-6-12(19(21)22)8-17-15(11)18-13/h1-4,6-8H,5H2,(H2,16,20)(H,17,18)
InChIKeyMCEHGEGFXYWNNH-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.17
Rot. Bonds4

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

2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 151041483) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
PubChem CID151041483
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2cc3cc([N+](=O)[O-])cnc3[nH]2)c1
InChIInChI=1S/C15H12N4O3/c16-14(20)5-9-2-1-3-10(4-9)13-7-11-6-12(19(21)22)8-17-15(11)18-13/h1-4,6-8H,5H2,(H2,16,20)(H,17,18)
InChIKeyMCEHGEGFXYWNNH-UHFFFAOYSA-N
XLogP2.17
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium;2-methylpropan-2-olate;N-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
CID 158847046
2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 118466697
potassium;2-[3-(2-methoxyethoxy)phenyl]-5-nitro-1H-pyrrolo[2,3-b]pyridine;2-methylpropan-2-olate
CID 69109687
2-[3-(5-chloro-2-methyl-1H-imidazol-4-yl)phenyl]acetamide
CID 167067120
2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 162474156
bis[3-(5-nitro-1H-indol-2-yl)phenyl]methanone
CID 139625310
sodium 2-(3-nitrophenyl)acetate
CID 20571503
2-(3-nitrophenyl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75422980
N-ethyl-N-[[3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]ethanamine
CID 141061988
3,5-dimethyl-2-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
CID 175402175
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285
2-[3-[(3-bromo-5-nitro-2-pyridinyl)oxy]phenyl]acetic acid
CID 79531149

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide (CID 151041483) is 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide is NC(=O)Cc1cccc(-c2cc3cc([N+](=O)[O-])cnc3[nH]2)c1.
What is the InChIKey of 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is MCEHGEGFXYWNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c16-14(20)5-9-2-1-3-10(4-9)13-7-11-6-12(19(21)22)8-17-15(11)18-13/h1-4,6-8H,5H2,(H2,16,20)(H,17,18).
What are the key properties of 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide?
2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 296.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 151041483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).