trimethyl-(pyridine-3-carbonylamino)azanium

C9H14N3O+ — CID 177120197

IUPACtrimethyl-(pyridine-3-carbonylamino)azanium
SMILESC[N+](C)(C)NC(=O)c1cccnc1
InChIInChI=1S/C9H13N3O/c1-12(2,3)11-9(13)8-5-4-6-10-7-8/h4-7H,1-3H3/p+1
InChIKeyVILFHXSHFACDHH-UHFFFAOYSA-O
MW180.23 g/mol
LogP0.43
Rot. Bonds2

About trimethyl-(pyridine-3-carbonylamino)azanium

trimethyl-(pyridine-3-carbonylamino)azanium (PubChem CID 177120197) has the molecular formula C9H14N3O+ and a molecular weight of 180.23 g/mol. Its IUPAC name is trimethyl-(pyridine-3-carbonylamino)azanium.

Molecular Properties

Compound Nametrimethyl-(pyridine-3-carbonylamino)azanium
PubChem CID177120197
Molecular FormulaC9H14N3O+
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Nametrimethyl-(pyridine-3-carbonylamino)azanium
SMILESC[N+](C)(C)NC(=O)c1cccnc1
InChIInChI=1S/C9H13N3O/c1-12(2,3)11-9(13)8-5-4-6-10-7-8/h4-7H,1-3H3/p+1
InChIKeyVILFHXSHFACDHH-UHFFFAOYSA-O
XLogP0.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-(pyridine-3-carbonylamino)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylpyridine-3-carboxamide chloride
CID 20976730
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
(111C)methyl pyridine-3-carboxylate
CID 11309537
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841

Frequently Asked Questions

What is the IUPAC name of trimethyl-(pyridine-3-carbonylamino)azanium?
The IUPAC name of trimethyl-(pyridine-3-carbonylamino)azanium (CID 177120197) is trimethyl-(pyridine-3-carbonylamino)azanium.
What is the SMILES notation for trimethyl-(pyridine-3-carbonylamino)azanium?
The canonical SMILES for trimethyl-(pyridine-3-carbonylamino)azanium is C[N+](C)(C)NC(=O)c1cccnc1.
What is the InChIKey of trimethyl-(pyridine-3-carbonylamino)azanium?
The InChIKey is VILFHXSHFACDHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3O/c1-12(2,3)11-9(13)8-5-4-6-10-7-8/h4-7H,1-3H3/p+1.
What are the key properties of trimethyl-(pyridine-3-carbonylamino)azanium?
trimethyl-(pyridine-3-carbonylamino)azanium has a molecular weight of 180.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(pyridine-3-carbonylamino)azanium is sourced from PubChem (CID 177120197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).