(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide

C22H21N3O3 — CID 89001839

IUPAC(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
SMILESCOc1cccc(Cn2cccc(/C=C/C(=O)Nc3ccccc3N)c2=O)c1
InChIInChI=1S/C22H21N3O3/c1-28-18-8-4-6-16(14-18)15-25-13-5-7-17(22(25)27)11-12-21(26)24-20-10-3-2-9-19(20)23/h2-14H,15,23H2,1H3,(H,24,26)/b12-11+
InChIKeyIPMGECRWDJBQDA-VAWYXSNFSA-N
MW375.43 g/mol
LogP3.14
Rot. Bonds6

About (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide (PubChem CID 89001839) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
PubChem CID89001839
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
SMILESCOc1cccc(Cn2cccc(/C=C/C(=O)Nc3ccccc3N)c2=O)c1
InChIInChI=1S/C22H21N3O3/c1-28-18-8-4-6-16(14-18)15-25-13-5-7-17(22(25)27)11-12-21(26)24-20-10-3-2-9-19(20)23/h2-14H,15,23H2,1H3,(H,24,26)/b12-11+
InChIKeyIPMGECRWDJBQDA-VAWYXSNFSA-N
XLogP3.14
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]propanamide
CID 59305557
N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599441
N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382307
(E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]-N-(2-chlorophenyl)prop-2-enamide
CID 8864886
N-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methoxybenzamide
CID 52949168
4-[[2-amino-4-[(3-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2-aminophenyl)benzamide
CID 162670161
(E)-3-(2-bromophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9495750
N-(2-cyanophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599376

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide (CID 89001839) is (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide is COc1cccc(Cn2cccc(/C=C/C(=O)Nc3ccccc3N)c2=O)c1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide?
The InChIKey is IPMGECRWDJBQDA-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-18-8-4-6-16(14-18)15-25-13-5-7-17(22(25)27)11-12-21(26)24-20-10-3-2-9-19(20)23/h2-14H,15,23H2,1H3,(H,24,26)/b12-11+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide has a molecular weight of 375.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 89001839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).