N-(4-azidobutyl)pent-4-ynamide

C9H14N4O — CID 106386752

IUPACN-(4-azidobutyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C9H14N4O/c1-2-3-6-9(14)11-7-4-5-8-12-13-10/h1H,3-8H2,(H,11,14)
InChIKeyRPWQWFZSKPOZRW-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.61
Rot. Bonds7

About N-(4-azidobutyl)pent-4-ynamide

N-(4-azidobutyl)pent-4-ynamide (PubChem CID 106386752) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(4-azidobutyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(4-azidobutyl)pent-4-ynamide
PubChem CID106386752
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(4-azidobutyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C9H14N4O/c1-2-3-6-9(14)11-7-4-5-8-12-13-10/h1H,3-8H2,(H,11,14)
InChIKeyRPWQWFZSKPOZRW-UHFFFAOYSA-N
XLogP1.61
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
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-(4-hydroxybutyl)pent-4-ynamide
CID 87258816
N-(4-azidobutyl)hexanamide
CID 106386708
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
N-(4-azidobutyl)heptanamide
CID 106386394
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746
N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
N-(4-azidobutyl)-3-phenoxypropanamide
CID 114182203
18-azido-N-[2-[3-[[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]-[2-[bis[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl]amino]propanoylamino]ethyl]octadecanamide
CID 175974190
(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
CID 53251543

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)pent-4-ynamide?
The IUPAC name of N-(4-azidobutyl)pent-4-ynamide (CID 106386752) is N-(4-azidobutyl)pent-4-ynamide.
What is the SMILES notation for N-(4-azidobutyl)pent-4-ynamide?
The canonical SMILES for N-(4-azidobutyl)pent-4-ynamide is C#CCCC(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)pent-4-ynamide?
The InChIKey is RPWQWFZSKPOZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-3-6-9(14)11-7-4-5-8-12-13-10/h1H,3-8H2,(H,11,14).
What are the key properties of N-(4-azidobutyl)pent-4-ynamide?
N-(4-azidobutyl)pent-4-ynamide has a molecular weight of 194.24 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)pent-4-ynamide is sourced from PubChem (CID 106386752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).