5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide

C13H13N7O3 — CID 75523052

IUPAC5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide
SMILESCC(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[nH]n1
InChIInChI=1S/C13H13N7O3/c1-7(12-16-18-19-17-12)5-15-13(21)10-6-14-11-3-2-8(20(22)23)4-9(10)11/h2-4,6-7,14H,5H2,1H3,(H,15,21)(H,16,17,18,19)
InChIKeyYXCCETRUXJFACD-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.12
Rot. Bonds5

About 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide

5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide (PubChem CID 75523052) has the molecular formula C13H13N7O3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide
PubChem CID75523052
Molecular FormulaC13H13N7O3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide
SMILESCC(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[nH]n1
InChIInChI=1S/C13H13N7O3/c1-7(12-16-18-19-17-12)5-15-13(21)10-6-14-11-3-2-8(20(22)23)4-9(10)11/h2-4,6-7,14H,5H2,1H3,(H,15,21)(H,16,17,18,19)
InChIKeyYXCCETRUXJFACD-UHFFFAOYSA-N
XLogP1.12
TPSA142.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-[(5-nitro-1H-indole-3-carbonyl)amino]hexanoic acid
CID 119220047
5-nitro-N-[(2S)-2-phenylpropyl]-1H-indazole-3-carboxamide
CID 35411829
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
CID 47090989
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-nitro-1H-indole-3-carboxamide
CID 47090958
(2-methoxy-2-oxoethyl) 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
CID 10662398
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 120651419
2-(ethylamino)-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62175476
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide (CID 75523052) is 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide is CC(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[nH]n1.
What is the InChIKey of 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide?
The InChIKey is YXCCETRUXJFACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O3/c1-7(12-16-18-19-17-12)5-15-13(21)10-6-14-11-3-2-8(20(22)23)4-9(10)11/h2-4,6-7,14H,5H2,1H3,(H,15,21)(H,16,17,18,19).
What are the key properties of 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide?
5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide has a molecular weight of 315.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(2H-tetrazol-5-yl)propyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 75523052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).