N-(3-azidopropyl)-1H-pyrrole-2-carboxamide

C8H11N5O — CID 61344374

IUPACN-(3-azidopropyl)-1H-pyrrole-2-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc[nH]1
InChIInChI=1S/C8H11N5O/c9-13-12-6-2-5-11-8(14)7-3-1-4-10-7/h1,3-4,10H,2,5-6H2,(H,11,14)
InChIKeyBLDMLDNBKHHWNV-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.44
Rot. Bonds5

About N-(3-azidopropyl)-1H-pyrrole-2-carboxamide

N-(3-azidopropyl)-1H-pyrrole-2-carboxamide (PubChem CID 61344374) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(3-azidopropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-1H-pyrrole-2-carboxamide
PubChem CID61344374
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN-(3-azidopropyl)-1H-pyrrole-2-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc[nH]1
InChIInChI=1S/C8H11N5O/c9-13-12-6-2-5-11-8(14)7-3-1-4-10-7/h1,3-4,10H,2,5-6H2,(H,11,14)
InChIKeyBLDMLDNBKHHWNV-UHFFFAOYSA-N
XLogP1.44
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-azidopropyl)-1H-indole-6-carboxamide
CID 63748447
N-(3-azidopropyl)-2,6-dichlorobenzamide
CID 61343646
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
N-(4-azidobutyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 106386761
N-[2-(3-azidopropylamino)-2-oxoethyl]benzamide
CID 61344378
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(3-azidopropyl)-1-benzothiophene-2-carboxamide
CID 61406843
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561
N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
CID 78814112
N-(3-azidopropyl)-2-thiophen-2-ylacetamide
CID 55138752
N-(3-azidopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61344717
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide
CID 61343834

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-azidopropyl)-1H-pyrrole-2-carboxamide (CID 61344374) is N-(3-azidopropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-1H-pyrrole-2-carboxamide is [N-]=[N+]=NCCCNC(=O)c1ccc[nH]1.
What is the InChIKey of N-(3-azidopropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BLDMLDNBKHHWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-13-12-6-2-5-11-8(14)7-3-1-4-10-7/h1,3-4,10H,2,5-6H2,(H,11,14).
What are the key properties of N-(3-azidopropyl)-1H-pyrrole-2-carboxamide?
N-(3-azidopropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).