(E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide

C23H23N3O2 — CID 166194257

IUPAC(E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(N(C)C)cc2)ccc1Oc1cccnc1
InChIInChI=1S/C23H23N3O2/c1-17-15-19(9-12-22(17)28-21-5-4-14-24-16-21)25-23(27)13-8-18-6-10-20(11-7-18)26(2)3/h4-16H,1-3H3,(H,25,27)/b13-8+
InChIKeyCZUWYZHBFYUYFA-MDWZMJQESA-N
MW373.46 g/mol
LogP4.90
Rot. Bonds6

About (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide

(E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide (PubChem CID 166194257) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide
PubChem CID166194257
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2ccc(N(C)C)cc2)ccc1Oc1cccnc1
InChIInChI=1S/C23H23N3O2/c1-17-15-19(9-12-22(17)28-21-5-4-14-24-16-21)25-23(27)13-8-18-6-10-20(11-7-18)26(2)3/h4-16H,1-3H3,(H,25,27)/b13-8+
InChIKeyCZUWYZHBFYUYFA-MDWZMJQESA-N
XLogP4.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(3-methyl-4-pyridin-3-yloxyanilino)-3-oxoprop-1-enyl]benzoate
CID 76870076
(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60581339
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
(E)-3-(4-acetamidophenyl)-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]prop-2-enamide
CID 47740224
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
(4-pyridin-3-yloxyphenyl)methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 166194144
3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
(E)-3-(3,4-diethoxyphenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1178498
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide (CID 166194257) is (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2ccc(N(C)C)cc2)ccc1Oc1cccnc1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide?
The InChIKey is CZUWYZHBFYUYFA-MDWZMJQESA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17-15-19(9-12-22(17)28-21-5-4-14-24-16-21)25-23(27)13-8-18-6-10-20(11-7-18)26(2)3/h4-16H,1-3H3,(H,25,27)/b13-8+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide?
(E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide has a molecular weight of 373.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 166194257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).