aziridin-1-yl-(5-methyl-2-pyridinyl)methanone

C9H10N2O — CID 126996011

IUPACaziridin-1-yl-(5-methyl-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC2)nc1
InChIInChI=1S/C9H10N2O/c1-7-2-3-8(10-6-7)9(12)11-4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyHNOKYRRQJXBXQJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.85
Rot. Bonds1

About aziridin-1-yl-(5-methyl-2-pyridinyl)methanone

aziridin-1-yl-(5-methyl-2-pyridinyl)methanone (PubChem CID 126996011) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is aziridin-1-yl-(5-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl-(5-methyl-2-pyridinyl)methanone
PubChem CID126996011
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Nameaziridin-1-yl-(5-methyl-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC2)nc1
InChIInChI=1S/C9H10N2O/c1-7-2-3-8(10-6-7)9(12)11-4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyHNOKYRRQJXBXQJ-UHFFFAOYSA-N
XLogP0.85
TPSA32.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-1,4-diazepan-1-yl)-(5-methyl-2-pyridinyl)methanone
CID 97240980
ethane;formic acid;(5-methyl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 142369498
ethane;methanol;1-(5-methylpyridine-2-carbonyl)azetidine-3-carbaldehyde
CID 142369524
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
N,N-diethyl-3-[1-(5-methylpyridine-2-carbonyl)piperidin-4-yl]propanamide
CID 166208087
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
5-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 83971695
(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone
CID 134435081
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115577232
sodium 5-methylpyridine-2-carboxylate
CID 23707755
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(5-methyl-2-pyridinyl)methanone?
The IUPAC name of aziridin-1-yl-(5-methyl-2-pyridinyl)methanone (CID 126996011) is aziridin-1-yl-(5-methyl-2-pyridinyl)methanone.
What is the SMILES notation for aziridin-1-yl-(5-methyl-2-pyridinyl)methanone?
The canonical SMILES for aziridin-1-yl-(5-methyl-2-pyridinyl)methanone is Cc1ccc(C(=O)N2CC2)nc1.
What is the InChIKey of aziridin-1-yl-(5-methyl-2-pyridinyl)methanone?
The InChIKey is HNOKYRRQJXBXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-2-3-8(10-6-7)9(12)11-4-5-11/h2-3,6H,4-5H2,1H3.
What are the key properties of aziridin-1-yl-(5-methyl-2-pyridinyl)methanone?
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone has a molecular weight of 162.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(5-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 126996011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).