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

C16H12N4O3 — CID 24809727

IUPAC2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O3/c17-16(21)12-9-13(10-5-7-18-8-6-10)19-15(12)11-3-1-2-4-14(11)20(22)23/h1-9,19H,(H2,17,21)
InChIKeyAQGTUBOJXORWCG-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.75
Rot. Bonds4

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

2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 24809727) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID24809727
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O3/c17-16(21)12-9-13(10-5-7-18-8-6-10)19-15(12)11-3-1-2-4-14(11)20(22)23/h1-9,19H,(H2,17,21)
InChIKeyAQGTUBOJXORWCG-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

1H-indole-3-carboxamide
CID 2192542
Tryptamide
CID 65768
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
N-(indol-3-ylglyoxylyl)benzylamine
CID 3149447
N-(p-methylbenzyl)-5-nitroindol-3-ylglyoxylamide
CID 16124785
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109
5-Nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
CID 2906793
Pyrrolopyridine, 35
CID 10007353
Pyrrolopyridine, 33
CID 10453611
Pha-767491
CID 11715767
5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(pyridin-4-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 11750389
Pyrrolopyridine, 9
CID 16719862

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (CID 24809727) is 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is AQGTUBOJXORWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-16(21)12-9-13(10-5-7-18-8-6-10)19-15(12)11-3-1-2-4-14(11)20(22)23/h1-9,19H,(H2,17,21).
What are the key properties of 2-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
2-(2-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-(2-nitrophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24809727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).