2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine

C13H15ClN2O — CID 114050852

IUPAC2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine
SMILESCCc1ccc(CNc2cc(C)cnc2Cl)o1
InChIInChI=1S/C13H15ClN2O/c1-3-10-4-5-11(17-10)8-15-12-6-9(2)7-16-13(12)14/h4-7,15H,3,8H2,1-2H3
InChIKeyNNRGINUAFXODHS-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.81
Rot. Bonds4

About 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine

2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine (PubChem CID 114050852) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine
PubChem CID114050852
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine
SMILESCCc1ccc(CNc2cc(C)cnc2Cl)o1
InChIInChI=1S/C13H15ClN2O/c1-3-10-4-5-11(17-10)8-15-12-6-9(2)7-16-13(12)14/h4-7,15H,3,8H2,1-2H3
InChIKeyNNRGINUAFXODHS-UHFFFAOYSA-N
XLogP3.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine 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

2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 114050796
2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050809
3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
CID 55062751
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
CID 62344876
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 114050786
3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63431488
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
CID 103930537
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine (CID 114050852) is 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine is CCc1ccc(CNc2cc(C)cnc2Cl)o1.
What is the InChIKey of 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine?
The InChIKey is NNRGINUAFXODHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-10-4-5-11(17-10)8-15-12-6-9(2)7-16-13(12)14/h4-7,15H,3,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine?
2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine has a molecular weight of 250.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 114050852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).