N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

C26H28N4O3 — CID 55786021

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCC1CN(c2ccc(NC(=O)C=Cc3ccc(OCc4ccccn4)cc3)cn2)CC(C)O1
InChIInChI=1S/C26H28N4O3/c1-19-16-30(17-20(2)33-19)25-12-9-22(15-28-25)29-26(31)13-8-21-6-10-24(11-7-21)32-18-23-5-3-4-14-27-23/h3-15,19-20H,16-18H2,1-2H3,(H,29,31)
InChIKeyFTSMYAMYMOYLQQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.32
Rot. Bonds7

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 55786021) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID55786021
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCC1CN(c2ccc(NC(=O)C=Cc3ccc(OCc4ccccn4)cc3)cn2)CC(C)O1
InChIInChI=1S/C26H28N4O3/c1-19-16-30(17-20(2)33-19)25-12-9-22(15-28-25)29-26(31)13-8-21-6-10-24(11-7-21)32-18-23-5-3-4-14-27-23/h3-15,19-20H,16-18H2,1-2H3,(H,29,31)
InChIKeyFTSMYAMYMOYLQQ-UHFFFAOYSA-N
XLogP4.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide with MolForge

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Related Compounds

(E)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616869
(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 98867836
N-propan-2-yl-4-[3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoylamino]benzamide
CID 55864279
N-[4-(azepane-1-carbonyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55887105
(E)-N-(2-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46547414
(E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46546321
(E)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46546294
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(2-fluorophenoxy)butanamide
CID 55960129
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39898275
N-[2-(4-methylphenyl)sulfanylethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616514
methanol;(1E,6E)-1-(2-methylpyrazol-3-yl)-7-[4-(pyridin-2-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 160761825
(E)-N-[3-(hydroxymethyl)pentan-3-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 75433996

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (CID 55786021) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is CC1CN(c2ccc(NC(=O)C=Cc3ccc(OCc4ccccn4)cc3)cn2)CC(C)O1.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is FTSMYAMYMOYLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-19-16-30(17-20(2)33-19)25-12-9-22(15-28-25)29-26(31)13-8-21-6-10-24(11-7-21)32-18-23-5-3-4-14-27-23/h3-15,19-20H,16-18H2,1-2H3,(H,29,31).
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 444.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 55786021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).