N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine

C25H26FN3O — CID 155017064

IUPACN-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C25H26FN3O/c1-19(27-17-20-3-2-4-23(26)16-20)15-24-8-5-22(18-28-24)21-6-9-25(10-7-21)29-11-13-30-14-12-29/h2-10,16,18,27H,1,11-15,17H2
InChIKeyGEAXPVBJZKQKCV-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.57
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine

N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine (PubChem CID 155017064) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine
PubChem CID155017064
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C25H26FN3O/c1-19(27-17-20-3-2-4-23(26)16-20)15-24-8-5-22(18-28-24)21-6-9-25(10-7-21)29-11-13-30-14-12-29/h2-10,16,18,27H,1,11-15,17H2
InChIKeyGEAXPVBJZKQKCV-UHFFFAOYSA-N
XLogP4.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide
CID 163654740
N-[(3-fluorophenyl)methyl]-2-[5-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide;sulfane
CID 162073419
2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450470
N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine
CID 143708409
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 90005107
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine
CID 159348148
N-[(2-ethoxyphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 24944845
N-[(3-fluorophenyl)methyl]-2-[2-methyl-6-(4-morpholin-4-ylphenyl)cycloocta-1,5,7-trien-1-yl]acetamide
CID 123549551
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
ethane;2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methyl]acetamide
CID 143708346

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine (CID 155017064) is N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine is C=C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine?
The InChIKey is GEAXPVBJZKQKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-19(27-17-20-3-2-4-23(26)16-20)15-24-8-5-22(18-28-24)21-6-9-25(10-7-21)29-11-13-30-14-12-29/h2-10,16,18,27H,1,11-15,17H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine?
N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine has a molecular weight of 403.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine is sourced from PubChem (CID 155017064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).