N-(4-azidobutyl)-1-methylindazole-3-carboxamide

C13H16N6O — CID 106386463

IUPACN-(4-azidobutyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCCN=[N+]=[N-])c2ccccc21
InChIInChI=1S/C13H16N6O/c1-19-11-7-3-2-6-10(11)12(17-19)13(20)15-8-4-5-9-16-18-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,20)
InChIKeyLXYPPTVYLNOLKK-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.39
Rot. Bonds6

About N-(4-azidobutyl)-1-methylindazole-3-carboxamide

N-(4-azidobutyl)-1-methylindazole-3-carboxamide (PubChem CID 106386463) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(4-azidobutyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-1-methylindazole-3-carboxamide
PubChem CID106386463
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(4-azidobutyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCCN=[N+]=[N-])c2ccccc21
InChIInChI=1S/C13H16N6O/c1-19-11-7-3-2-6-10(11)12(17-19)13(20)15-8-4-5-9-16-18-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,20)
InChIKeyLXYPPTVYLNOLKK-UHFFFAOYSA-N
XLogP2.39
TPSA95.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-(4-azidobutyl)quinoline-4-carboxamide
CID 106386810
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106386535

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(4-azidobutyl)-1-methylindazole-3-carboxamide (CID 106386463) is N-(4-azidobutyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(4-azidobutyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(4-azidobutyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCCCCN=[N+]=[N-])c2ccccc21.
What is the InChIKey of N-(4-azidobutyl)-1-methylindazole-3-carboxamide?
The InChIKey is LXYPPTVYLNOLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-19-11-7-3-2-6-10(11)12(17-19)13(20)15-8-4-5-9-16-18-14/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,20).
What are the key properties of N-(4-azidobutyl)-1-methylindazole-3-carboxamide?
N-(4-azidobutyl)-1-methylindazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 106386463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).