(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide

C19H19Cl2N3O2 — CID 37489406

IUPAC(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C19H19Cl2N3O2/c20-16-4-5-17(21)14(12-16)3-6-18(25)23-13-15-2-1-7-22-19(15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)/b6-3+
InChIKeyDPVJOZLHGIOJOQ-ZZXKWVIFSA-N
MW392.29 g/mol
LogP3.55
Rot. Bonds5

About (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide

(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 37489406) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
PubChem CID37489406
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C19H19Cl2N3O2/c20-16-4-5-17(21)14(12-16)3-6-18(25)23-13-15-2-1-7-22-19(15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)/b6-3+
InChIKeyDPVJOZLHGIOJOQ-ZZXKWVIFSA-N
XLogP3.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 39248673
(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 39568621
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 46598669
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318746
(E)-N-[(2-morpholin-4-ylphenyl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 42636168
1-[(3-chlorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111177163
6-chloro-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 56749997
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 55695181
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
2,5-dichloro-N-(2-morpholin-4-yl-3-pyridinyl)benzamide
CID 47071256
(E)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 59598262

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide (CID 37489406) is (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide is O=C(/C=C/c1cc(Cl)ccc1Cl)NCc1cccnc1N1CCOCC1.
What is the InChIKey of (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is DPVJOZLHGIOJOQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-16-4-5-17(21)14(12-16)3-6-18(25)23-13-15-2-1-7-22-19(15)24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25)/b6-3+.
What are the key properties of (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 392.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 37489406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).