N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine

C22H23FN4O — CID 127249088

IUPACN-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine
SMILESCc1ccccc1CN1CCOC(c2ccc(Nc3ccc(F)cn3)cn2)C1
InChIInChI=1S/C22H23FN4O/c1-16-4-2-3-5-17(16)14-27-10-11-28-21(15-27)20-8-7-19(13-24-20)26-22-9-6-18(23)12-25-22/h2-9,12-13,21H,10-11,14-15H2,1H3,(H,25,26)
InChIKeyAABJAEJOKCUZDU-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.24
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine

N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine (PubChem CID 127249088) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine
PubChem CID127249088
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine
SMILESCc1ccccc1CN1CCOC(c2ccc(Nc3ccc(F)cn3)cn2)C1
InChIInChI=1S/C22H23FN4O/c1-16-4-2-3-5-17(16)14-27-10-11-28-21(15-27)20-8-7-19(13-24-20)26-22-9-6-18(23)12-25-22/h2-9,12-13,21H,10-11,14-15H2,1H3,(H,25,26)
InChIKeyAABJAEJOKCUZDU-UHFFFAOYSA-N
XLogP4.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-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

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine (CID 127249088) is N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine is Cc1ccccc1CN1CCOC(c2ccc(Nc3ccc(F)cn3)cn2)C1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine?
The InChIKey is AABJAEJOKCUZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-16-4-2-3-5-17(16)14-27-10-11-28-21(15-27)20-8-7-19(13-24-20)26-22-9-6-18(23)12-25-22/h2-9,12-13,21H,10-11,14-15H2,1H3,(H,25,26).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine?
N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine has a molecular weight of 378.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-3-amine is sourced from PubChem (CID 127249088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).