(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide

C19H21N3O2 — CID 51092491

IUPAC(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O2/c23-19(8-5-16-2-1-9-20-14-16)21-15-17-3-6-18(7-4-17)22-10-12-24-13-11-22/h1-9,14H,10-13,15H2,(H,21,23)/b8-5+
InChIKeyVDDSEIYMQYMJEM-VMPITWQZSA-N
MW323.40 g/mol
LogP2.25
Rot. Bonds5

About (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 51092491) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID51092491
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O2/c23-19(8-5-16-2-1-9-20-14-16)21-15-17-3-6-18(7-4-17)22-10-12-24-13-11-22/h1-9,14H,10-13,15H2,(H,21,23)/b8-5+
InChIKeyVDDSEIYMQYMJEM-VMPITWQZSA-N
XLogP2.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 38108420
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
(E)-3-(3-chlorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24613264
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
CID 30505444
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 38105491
N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 67016457
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide (CID 51092491) is (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is VDDSEIYMQYMJEM-VMPITWQZSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(8-5-16-2-1-9-20-14-16)21-15-17-3-6-18(7-4-17)22-10-12-24-13-11-22/h1-9,14H,10-13,15H2,(H,21,23)/b8-5+.
What are the key properties of (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 323.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 51092491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).