N-(2-azidoethyl)-3-methylpyridine-2-carboxamide

C9H11N5O — CID 55210380

IUPACN-(2-azidoethyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C9H11N5O/c1-7-3-2-4-11-8(7)9(15)12-5-6-13-14-10/h2-4H,5-6H2,1H3,(H,12,15)
InChIKeyZQKSDKAEJDMYDX-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.43
Rot. Bonds4

About N-(2-azidoethyl)-3-methylpyridine-2-carboxamide

N-(2-azidoethyl)-3-methylpyridine-2-carboxamide (PubChem CID 55210380) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(2-azidoethyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-3-methylpyridine-2-carboxamide
PubChem CID55210380
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(2-azidoethyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C9H11N5O/c1-7-3-2-4-11-8(7)9(15)12-5-6-13-14-10/h2-4H,5-6H2,1H3,(H,12,15)
InChIKeyZQKSDKAEJDMYDX-UHFFFAOYSA-N
XLogP1.43
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.43
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-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide
CID 163545247
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
CID 11856359
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
3-methyl-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 81479287
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-azidoethyl)-3-methylpyridine-2-carboxamide (CID 55210380) is N-(2-azidoethyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-3-methylpyridine-2-carboxamide?
The InChIKey is ZQKSDKAEJDMYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-7-3-2-4-11-8(7)9(15)12-5-6-13-14-10/h2-4H,5-6H2,1H3,(H,12,15).
What are the key properties of N-(2-azidoethyl)-3-methylpyridine-2-carboxamide?
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 55210380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).