4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine

C21H21N3O2 — CID 166329603

IUPAC4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cc(-c3ccc(OCC4CCOC4)cc3)ccn2)nc1
InChIInChI=1S/C21H21N3O2/c1-2-10-22-20(3-1)24-21-13-18(8-11-23-21)17-4-6-19(7-5-17)26-15-16-9-12-25-14-16/h1-8,10-11,13,16H,9,12,14-15H2,(H,22,23,24)
InChIKeyCIKKTIMFYXCKQF-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.30
Rot. Bonds6

About 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine

4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 166329603) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID166329603
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cc(-c3ccc(OCC4CCOC4)cc3)ccn2)nc1
InChIInChI=1S/C21H21N3O2/c1-2-10-22-20(3-1)24-21-13-18(8-11-23-21)17-4-6-19(7-5-17)26-15-16-9-12-25-14-16/h1-8,10-11,13,16H,9,12,14-15H2,(H,22,23,24)
InChIKeyCIKKTIMFYXCKQF-UHFFFAOYSA-N
XLogP4.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-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

Related Compounds

4-N-[4-[4-(oxolan-3-ylmethoxy)phenyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 166300660
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
3-[(4-phenylphenoxy)methyl]oxetane
CID 116820148
5-(piperidin-4-ylmethoxy)-N-pyridin-2-ylpyridin-2-amine
CID 175740892
N-methyl-2-[4-[2-(oxolan-3-ylmethoxy)phenyl]phenoxy]ethanamine
CID 154742408
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
6-methyl-2-[4-(oxolan-3-ylmethoxy)phenyl]pyridine-3-carboxylic acid
CID 167867751
4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride
CID 166001005
1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
CID 158122950
2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 71295188
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]oxolane
CID 54977496

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine (CID 166329603) is 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(Nc2cc(-c3ccc(OCC4CCOC4)cc3)ccn2)nc1.
What is the InChIKey of 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is CIKKTIMFYXCKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-10-22-20(3-1)24-21-13-18(8-11-23-21)17-4-6-19(7-5-17)26-15-16-9-12-25-14-16/h1-8,10-11,13,16H,9,12,14-15H2,(H,22,23,24).
What are the key properties of 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine?
4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-3-ylmethoxy)phenyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 166329603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).