N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide

C14H13BrN4O — CID 115354417

IUPACN-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrN4O/c15-13-5-4-10-8-12(3-2-11(10)9-13)14(20)17-6-1-7-18-19-16/h2-5,8-9H,1,6-7H2,(H,17,20)
InChIKeyDAIKBDLIYMWOGO-UHFFFAOYSA-N
MW333.19 g/mol
LogP4.03
Rot. Bonds5

About N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide

N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide (PubChem CID 115354417) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
PubChem CID115354417
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC NameN-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13BrN4O/c15-13-5-4-10-8-12(3-2-11(10)9-13)14(20)17-6-1-7-18-19-16/h2-5,8-9H,1,6-7H2,(H,17,20)
InChIKeyDAIKBDLIYMWOGO-UHFFFAOYSA-N
XLogP4.03
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 54.03
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-(3-azidopropyl)-1H-indole-6-carboxamide
CID 63748447
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CID 61344699
N-(4-azidobutyl)-3,4-dihydroxybenzamide
CID 106386706
N-(3-azidopropyl)-3,4-dimethoxybenzamide
CID 61344006
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
N-(4-azidobutyl)-3,4-difluorobenzamide
CID 106386485
6-bromo-N-but-3-enylnaphthalene-2-carboxamide
CID 113465704
6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 113278435
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide
CID 61343834
N-(3-azidopropyl)-4-(hydroxymethyl)-3-nitrobenzamide
CID 163303602

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide?
The IUPAC name of N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide (CID 115354417) is N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide?
The canonical SMILES for N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide is [N-]=[N+]=NCCCNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide?
The InChIKey is DAIKBDLIYMWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-13-5-4-10-8-12(3-2-11(10)9-13)14(20)17-6-1-7-18-19-16/h2-5,8-9H,1,6-7H2,(H,17,20).
What are the key properties of N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide?
N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide is sourced from PubChem (CID 115354417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).