5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C12H15N3O2 — CID 135827458

IUPAC5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCC/C(=N/OC)c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C12H15N3O2/c1-4-5-11(15-17-3)10-6-9(7-13)12(16)14-8(10)2/h6H,4-5H2,1-3H3,(H,14,16)/b15-11-
InChIKeyKVTGOWPHDQNYJA-PTNGSMBKSA-N
MW233.27 g/mol
LogP1.71
Rot. Bonds4

About 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 135827458) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID135827458
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCC/C(=N/OC)c1cc(C#N)c(=O)[nH]c1C
InChIInChI=1S/C12H15N3O2/c1-4-5-11(15-17-3)10-6-9(7-13)12(16)14-8(10)2/h6H,4-5H2,1-3H3,(H,14,16)/b15-11-
InChIKeyKVTGOWPHDQNYJA-PTNGSMBKSA-N
XLogP1.71
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile 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

6-ethyl-5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135827459
6-methyl-2-oxo-5-(2-propoxyacetyl)-1H-pyridine-3-carbonitrile
CID 70494779
5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 10330159
5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70495759
ethyl 2-tert-butyl-5-cyano-6-oxo-1H-pyridine-3-carboxylate
CID 14490480
5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 14490482
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 70495107
5-(2-chloroacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 88708237
5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 15098873
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 56874343
6-ethyl-2-oxo-5-(3-oxobutanoyl)-1H-pyridine-3-carbonitrile
CID 70492361

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 135827458) is 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCC/C(=N/OC)c1cc(C#N)c(=O)[nH]c1C.
What is the InChIKey of 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KVTGOWPHDQNYJA-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-5-11(15-17-3)10-6-9(7-13)12(16)14-8(10)2/h6H,4-5H2,1-3H3,(H,14,16)/b15-11-.
What are the key properties of 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135827458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).