2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide

C15H20N2O — CID 47141132

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccncc2)C1(C)C
InChIInChI=1S/C15H20N2O/c1-10(2)9-12-13(15(12,3)4)14(18)17-11-5-7-16-8-6-11/h5-9,12-13H,1-4H3,(H,16,17,18)
InChIKeyDWAIBPBVKWNKDP-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.26
Rot. Bonds3

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 47141132) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID47141132
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccncc2)C1(C)C
InChIInChI=1S/C15H20N2O/c1-10(2)9-12-13(15(12,3)4)14(18)17-11-5-7-16-8-6-11/h5-9,12-13H,1-4H3,(H,16,17,18)
InChIKeyDWAIBPBVKWNKDP-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-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 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide (CID 47141132) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2ccncc2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is DWAIBPBVKWNKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)9-12-13(15(12,3)4)14(18)17-11-5-7-16-8-6-11/h5-9,12-13H,1-4H3,(H,16,17,18).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 47141132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).