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

C19H21N3O3 — CID 76869548

IUPAC3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C19H21N3O3/c1-24-17-7-3-2-5-15(17)8-9-18(23)21-16-6-4-10-20-19(16)22-11-13-25-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)
InChIKeyCBPKMDSNFBTVMR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.58
Rot. Bonds5

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

3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide (PubChem CID 76869548) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
PubChem CID76869548
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)Nc1cccnc1N1CCOCC1
InChIInChI=1S/C19H21N3O3/c1-24-17-7-3-2-5-15(17)8-9-18(23)21-16-6-4-10-20-19(16)22-11-13-25-14-12-22/h2-10H,11-14H2,1H3,(H,21,23)
InChIKeyCBPKMDSNFBTVMR-UHFFFAOYSA-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

(E)-3-(4-methylphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576829
(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60576773
(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 39568621
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 67026943
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 39737964
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 60576653
(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-3-pyridinyl)urea
CID 51124920
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24627113

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide (CID 76869548) is 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide is COc1ccccc1C=CC(=O)Nc1cccnc1N1CCOCC1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is CBPKMDSNFBTVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-7-3-2-5-15(17)8-9-18(23)21-16-6-4-10-20-19(16)22-11-13-25-14-12-22/h2-10H,11-14H2,1H3,(H,21,23).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide?
3-(2-methoxyphenyl)-N-(2-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 3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 76869548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).