(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide

C21H22N2O3 — CID 7321014

IUPAC(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(=C\c1ccccc1OC)n1ccccc1=O
InChIInChI=1S/C21H22N2O3/c1-4-13-22(14-5-2)21(25)18(23-15-9-8-12-20(23)24)16-17-10-6-7-11-19(17)26-3/h4-12,15-16H,1-2,13-14H2,3H3/b18-16+
InChIKeyQQDWTKNFVDCBKL-FBMGVBCBSA-N
MW350.42 g/mol
LogP3.06
Rot. Bonds8

About (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide

(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 7321014) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID7321014
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C(=C\c1ccccc1OC)n1ccccc1=O
InChIInChI=1S/C21H22N2O3/c1-4-13-22(14-5-2)21(25)18(23-15-9-8-12-20(23)24)16-17-10-6-7-11-19(17)26-3/h4-12,15-16H,1-2,13-14H2,3H3/b18-16+
InChIKeyQQDWTKNFVDCBKL-FBMGVBCBSA-N
XLogP3.06
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide with MolForge

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Related Compounds

3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 3584852
1-[(E)-3-(4-benzylpiperidin-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
CID 25246820
(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
CID 51361728
(2R)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenyl-N,N-bis(prop-2-enyl)propanamide
CID 7233719
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45187256
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861269
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
3-(2-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-prop-2-enylurea
CID 42760139
(2E,3E)-2,3-bis[(2-methoxyphenyl)methylidene]butanedial
CID 87977206
2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 106262023
2-(4-methoxyphenyl)imino-2-phenyl-N,N-bis(prop-2-enyl)acetamide
CID 122363330
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 10867868

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 7321014) is (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C(=C\c1ccccc1OC)n1ccccc1=O.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is QQDWTKNFVDCBKL-FBMGVBCBSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-13-22(14-5-2)21(25)18(23-15-9-8-12-20(23)24)16-17-10-6-7-11-19(17)26-3/h4-12,15-16H,1-2,13-14H2,3H3/b18-16+.
What are the key properties of (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 7321014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).