3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one

C11H17N3O — CID 176622736

IUPAC3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1cc(C(C)(C)C)[nH]c(=O)c1N
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-5-7(6-13-4)9(12)10(15)14-8/h5-6H,12H2,1-4H3,(H,14,15)/b13-6+
InChIKeyOEOGOPIOVYIWQA-AWNIVKPZSA-N
MW207.28 g/mol
LogP1.30
Rot. Bonds1

About 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one

3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one (PubChem CID 176622736) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one
PubChem CID176622736
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1cc(C(C)(C)C)[nH]c(=O)c1N
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-5-7(6-13-4)9(12)10(15)14-8/h5-6H,12H2,1-4H3,(H,14,15)/b13-6+
InChIKeyOEOGOPIOVYIWQA-AWNIVKPZSA-N
XLogP1.30
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide
CID 123154970
3-(dimethylamino)-4-methylidene-1H-pyrrolo[3,2-c]pyridin-2-one
CID 136424119
4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078769
ethane;(6E)-5-methylidene-6-(2-methylprop-2-enylidene)pyrazin-2-one
CID 143759956
(5E,6E)-2-amino-5,6-di(ethylidene)-2H-1,4-diazepin-3-one;ethane
CID 144593074
3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one
CID 168895543
5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium
CID 171513057
(2Z)-N-acetyl-2-amino-4-methanimidoyl-5-methylhexa-2,4-dienamide
CID 144488774
(5E,6E)-2-amino-5,6-di(ethylidene)-2H-1,4-diazepin-3-one
CID 144593075
N-(5-methylidene-2-oxo-4-pyridinyl)acetamide
CID 156592077
6-(1-imino-3-methylbut-2-en-2-yl)-3-methanimidoyl-4-methyl-1H-pyridin-2-one
CID 165125693

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one (CID 176622736) is 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one is C/N=C/c1cc(C(C)(C)C)[nH]c(=O)c1N.
What is the InChIKey of 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one?
The InChIKey is OEOGOPIOVYIWQA-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,3)8-5-7(6-13-4)9(12)10(15)14-8/h5-6H,12H2,1-4H3,(H,14,15)/b13-6+.
What are the key properties of 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one?
3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butyl-4-(methyliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176622736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).