N-(4-azidobutyl)-2-methylpyridine-3-carboxamide

C11H15N5O — CID 106386346

IUPACN-(4-azidobutyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C11H15N5O/c1-9-10(5-4-7-13-9)11(17)14-6-2-3-8-15-16-12/h4-5,7H,2-3,6,8H2,1H3,(H,14,17)
InChIKeyBSVTVUQDOMLLTK-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.21
Rot. Bonds6

About N-(4-azidobutyl)-2-methylpyridine-3-carboxamide

N-(4-azidobutyl)-2-methylpyridine-3-carboxamide (PubChem CID 106386346) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(4-azidobutyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-2-methylpyridine-3-carboxamide
PubChem CID106386346
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-(4-azidobutyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C11H15N5O/c1-9-10(5-4-7-13-9)11(17)14-6-2-3-8-15-16-12/h4-5,7H,2-3,6,8H2,1H3,(H,14,17)
InChIKeyBSVTVUQDOMLLTK-UHFFFAOYSA-N
XLogP2.21
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
N-(4-azidobutyl)quinoline-4-carboxamide
CID 106386810
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380
N-(4-azidobutyl)-2-bromo-4-methylbenzamide
CID 106386313
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(4-azidobutyl)-2-bromo-3-fluorobenzamide
CID 106386317
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
N-(4-azidobutyl)-1,5-dimethylpyrazole-4-carboxamide
CID 106386535
N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-azidobutyl)-2-methylpyridine-3-carboxamide (CID 106386346) is N-(4-azidobutyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-azidobutyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-azidobutyl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)-2-methylpyridine-3-carboxamide?
The InChIKey is BSVTVUQDOMLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-9-10(5-4-7-13-9)11(17)14-6-2-3-8-15-16-12/h4-5,7H,2-3,6,8H2,1H3,(H,14,17).
What are the key properties of N-(4-azidobutyl)-2-methylpyridine-3-carboxamide?
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 106386346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).