N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide

C9H10N2O3 — CID 176528458

IUPACN-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide
SMILESCON(C)C(=O)C1=CC(=C=O)NC=C1
InChIInChI=1S/C9H10N2O3/c1-11(14-2)9(13)7-3-4-10-8(5-7)6-12/h3-5,10H,1-2H3
InChIKeyFQIGDYLAJGUHSO-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.23
Rot. Bonds2

About N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide

N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide (PubChem CID 176528458) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide
PubChem CID176528458
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide
SMILESCON(C)C(=O)C1=CC(=C=O)NC=C1
InChIInChI=1S/C9H10N2O3/c1-11(14-2)9(13)7-3-4-10-8(5-7)6-12/h3-5,10H,1-2H3
InChIKeyFQIGDYLAJGUHSO-UHFFFAOYSA-N
XLogP-0.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide (CID 176528458) is N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide is CON(C)C(=O)C1=CC(=C=O)NC=C1.
What is the InChIKey of N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide?
The InChIKey is FQIGDYLAJGUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11(14-2)9(13)7-3-4-10-8(5-7)6-12/h3-5,10H,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide?
N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide has a molecular weight of 194.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(oxomethylidene)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 176528458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).