N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine

C21H24N4O — CID 167926400

IUPACN-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine
SMILESCc1nccn1-c1ccc(C(C)Nc2cc(C3CCOC3)ccn2)cc1
InChIInChI=1S/C21H24N4O/c1-15(17-3-5-20(6-4-17)25-11-10-22-16(25)2)24-21-13-18(7-9-23-21)19-8-12-26-14-19/h3-7,9-11,13,15,19H,8,12,14H2,1-2H3,(H,23,24)
InChIKeyCAWJIPWJEDFURS-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.25
Rot. Bonds5

About N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine

N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine (PubChem CID 167926400) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine
PubChem CID167926400
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine
SMILESCc1nccn1-c1ccc(C(C)Nc2cc(C3CCOC3)ccn2)cc1
InChIInChI=1S/C21H24N4O/c1-15(17-3-5-20(6-4-17)25-11-10-22-16(25)2)24-21-13-18(7-9-23-21)19-8-12-26-14-19/h3-7,9-11,13,15,19H,8,12,14H2,1-2H3,(H,23,24)
InChIKeyCAWJIPWJEDFURS-UHFFFAOYSA-N
XLogP4.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-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-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
The IUPAC name of N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine (CID 167926400) is N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
The canonical SMILES for N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine is Cc1nccn1-c1ccc(C(C)Nc2cc(C3CCOC3)ccn2)cc1.
What is the InChIKey of N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
The InChIKey is CAWJIPWJEDFURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(17-3-5-20(6-4-17)25-11-10-22-16(25)2)24-21-13-18(7-9-23-21)19-8-12-26-14-19/h3-7,9-11,13,15,19H,8,12,14H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine?
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-(oxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 167926400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).