N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine

C23H23N3O — CID 175251032

IUPACN-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine
SMILESC(=CN1CCO[C@@H](c2ccc(Nc3ccccn3)cc2)C1)c1ccccc1
InChIInChI=1S/C23H23N3O/c1-2-6-19(7-3-1)13-15-26-16-17-27-22(18-26)20-9-11-21(12-10-20)25-23-8-4-5-14-24-23/h1-15,22H,16-18H2,(H,24,25)/t22-/m1/s1
InChIKeyBSNOSVNAGLEOJQ-JOCHJYFZSA-N
MW357.46 g/mol
LogP4.87
Rot. Bonds5

About N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine

N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine (PubChem CID 175251032) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine
PubChem CID175251032
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine
SMILESC(=CN1CCO[C@@H](c2ccc(Nc3ccccn3)cc2)C1)c1ccccc1
InChIInChI=1S/C23H23N3O/c1-2-6-19(7-3-1)13-15-26-16-17-27-22(18-26)20-9-11-21(12-10-20)25-23-8-4-5-14-24-23/h1-15,22H,16-18H2,(H,24,25)/t22-/m1/s1
InChIKeyBSNOSVNAGLEOJQ-JOCHJYFZSA-N
XLogP4.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine (CID 175251032) is N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine is C(=CN1CCO[C@@H](c2ccc(Nc3ccccn3)cc2)C1)c1ccccc1.
What is the InChIKey of N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine?
The InChIKey is BSNOSVNAGLEOJQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N3O/c1-2-6-19(7-3-1)13-15-26-16-17-27-22(18-26)20-9-11-21(12-10-20)25-23-8-4-5-14-24-23/h1-15,22H,16-18H2,(H,24,25)/t22-/m1/s1.
What are the key properties of N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine?
N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine has a molecular weight of 357.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-4-(2-phenylethenyl)morpholin-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 175251032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).