N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine

C12H15N3 — CID 10798135

IUPACN-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine
SMILESCCc1cccn1N(C)c1ccncc1
InChIInChI=1S/C12H15N3/c1-3-11-5-4-10-15(11)14(2)12-6-8-13-9-7-12/h4-10H,3H2,1-2H3
InChIKeyVXBJSLRTKRFLOW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.35
Rot. Bonds3

About N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine

N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine (PubChem CID 10798135) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine
PubChem CID10798135
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine
SMILESCCc1cccn1N(C)c1ccncc1
InChIInChI=1S/C12H15N3/c1-3-11-5-4-10-15(11)14(2)12-6-8-13-9-7-12/h4-10H,3H2,1-2H3
InChIKeyVXBJSLRTKRFLOW-UHFFFAOYSA-N
XLogP2.35
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine 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-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine?
The IUPAC name of N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine (CID 10798135) is N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine?
The canonical SMILES for N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine is CCc1cccn1N(C)c1ccncc1.
What is the InChIKey of N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine?
The InChIKey is VXBJSLRTKRFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-11-5-4-10-15(11)14(2)12-6-8-13-9-7-12/h4-10H,3H2,1-2H3.
What are the key properties of N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine?
N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrrol-1-yl)-N-methylpyridin-4-amine is sourced from PubChem (CID 10798135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).