N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide

C11H15N2O+ — CID 23379188

IUPACN,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide
SMILESC=CCc1cc(C(=O)NC)cc[n+]1C
InChIInChI=1S/C11H14N2O/c1-4-5-10-8-9(11(14)12-2)6-7-13(10)3/h4,6-8H,1,5H2,2-3H3/p+1
InChIKeyMVQASCQCIWFFIB-UHFFFAOYSA-O
MW191.25 g/mol
LogP0.60
Rot. Bonds3

About N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide

N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide (PubChem CID 23379188) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide
PubChem CID23379188
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC NameN,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide
SMILESC=CCc1cc(C(=O)NC)cc[n+]1C
InChIInChI=1S/C11H14N2O/c1-4-5-10-8-9(11(14)12-2)6-7-13(10)3/h4,6-8H,1,5H2,2-3H3/p+1
InChIKeyMVQASCQCIWFFIB-UHFFFAOYSA-O
XLogP0.60
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide?
The IUPAC name of N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide (CID 23379188) is N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide?
The canonical SMILES for N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide is C=CCc1cc(C(=O)NC)cc[n+]1C.
What is the InChIKey of N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide?
The InChIKey is MVQASCQCIWFFIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O/c1-4-5-10-8-9(11(14)12-2)6-7-13(10)3/h4,6-8H,1,5H2,2-3H3/p+1.
What are the key properties of N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide?
N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide has a molecular weight of 191.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-prop-2-enylpyridin-1-ium-4-carboxamide is sourced from PubChem (CID 23379188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).