N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide

C14H14N4O3 — CID 79721869

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C14H14N4O3/c15-9-2-3-10-8(7-9)1-4-11(10)17-14(19)12-5-6-13(16-12)18(20)21/h2-3,5-7,11,16H,1,4,15H2,(H,17,19)
InChIKeyOKCJASCOCZDPEB-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.92
Rot. Bonds3

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide (PubChem CID 79721869) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide
PubChem CID79721869
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C14H14N4O3/c15-9-2-3-10-8(7-9)1-4-11(10)17-14(19)12-5-6-13(16-12)18(20)21/h2-3,5-7,11,16H,1,4,15H2,(H,17,19)
InChIKeyOKCJASCOCZDPEB-UHFFFAOYSA-N
XLogP1.92
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-5-chlorobenzamide
CID 107940112
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
CID 79741558
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 79741645
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 116649798
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-bromo-1H-pyrrole-2-carboxamide
CID 116649902
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
CID 106688572
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide (CID 79721869) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide is Nc1ccc2c(c1)CCC2NC(=O)c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is OKCJASCOCZDPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-9-2-3-10-8(7-9)1-4-11(10)17-14(19)12-5-6-13(16-12)18(20)21/h2-3,5-7,11,16H,1,4,15H2,(H,17,19).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79721869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).