2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

C16H12N4O3 — CID 24809728

IUPAC2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O3/c17-16(21)13-9-14(10-4-6-18-7-5-10)19-15(13)11-2-1-3-12(8-11)20(22)23/h1-9,19H,(H2,17,21)
InChIKeyQTMSXNQGBZJNRQ-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809728) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID24809728
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O3/c17-16(21)13-9-14(10-4-6-18-7-5-10)19-15(13)11-2-1-3-12(8-11)20(22)23/h1-9,19H,(H2,17,21)
InChIKeyQTMSXNQGBZJNRQ-UHFFFAOYSA-N
XLogP2.75
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.75
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

CID 2192542
CID 2192542
CID 11715767
CID 11715767
CID 11992146
CID 11992146
CID 1250570
CID 1250570
CID 2906793
CID 2906793
CID 16719862
CID 16719862
CID 16719968
CID 16719968
CID 16719970
CID 16719970
CID 16720095
CID 16720095
CID 16720200
CID 16720200
CID 16720208
CID 16720208
CID 25190891
CID 25190891

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (CID 24809728) is 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is QTMSXNQGBZJNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-16(21)13-9-14(10-4-6-18-7-5-10)19-15(13)11-2-1-3-12(8-11)20(22)23/h1-9,19H,(H2,17,21).
What are the key properties of 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).