(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide

C19H21N3O3 — CID 28923789

IUPAC(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C19H21N3O3/c1-24-17-4-2-3-15(13-17)5-8-19(23)21-16-6-7-18(20-14-16)22-9-11-25-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/b8-5+
InChIKeyFWPUSQIFPIPNQV-VMPITWQZSA-N
MW339.40 g/mol
LogP2.58
Rot. Bonds5

About (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide (PubChem CID 28923789) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
PubChem CID28923789
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C19H21N3O3/c1-24-17-4-2-3-15(13-17)5-8-19(23)21-16-6-7-18(20-14-16)22-9-11-25-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/b8-5+
InChIKeyFWPUSQIFPIPNQV-VMPITWQZSA-N
XLogP2.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 34444534
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43038050
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(Z)-3-(3-methoxyphenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]prop-2-enamide
CID 97435389
(E)-3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 1107601
3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 1232475
(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 26956084
(E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 6219257
(E)-3-[3-[2-(3-methoxyanilino)-4-morpholin-4-ylpyrimidin-5-yl]phenyl]prop-2-enoic acid
CID 59354604

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide (CID 28923789) is (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is FWPUSQIFPIPNQV-VMPITWQZSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-4-2-3-15(13-17)5-8-19(23)21-16-6-7-18(20-14-16)22-9-11-25-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,23)/b8-5+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 28923789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).