N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

C28H26F2N4O4 — CID 129014552

IUPACN-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESC=NC1=C(/C(=C\C)Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)OCC(C)(C)N1
InChIInChI=1S/C28H26F2N4O4/c1-5-22(25-26(31-4)34-28(2,3)15-37-25)38-23-11-10-18(12-21(23)30)33-27(36)20-14-32-13-19(24(20)35)16-6-8-17(29)9-7-16/h5-14,34H,4,15H2,1-3H3,(H,32,35)(H,33,36)/b22-5+
InChIKeySHJSEUALBSRWSE-RREIPUBJSA-N
MW520.54 g/mol
LogP5.12
Rot. Bonds7

About N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 129014552) has the molecular formula C28H26F2N4O4 and a molecular weight of 520.54 g/mol. Its IUPAC name is N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID129014552
Molecular FormulaC28H26F2N4O4
Molecular Weight520.54 g/mol
Exact Mass520.19
IUPAC NameN-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESC=NC1=C(/C(=C\C)Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)OCC(C)(C)N1
InChIInChI=1S/C28H26F2N4O4/c1-5-22(25-26(31-4)34-28(2,3)15-37-25)38-23-11-10-18(12-21(23)30)33-27(36)20-14-32-13-19(24(20)35)16-6-8-17(29)9-7-16/h5-14,34H,4,15H2,1-3H3,(H,32,35)(H,33,36)/b22-5+
InChIKeySHJSEUALBSRWSE-RREIPUBJSA-N
XLogP5.12
TPSA104.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.54
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 129014552) is N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is C=NC1=C(/C(=C\C)Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)OCC(C)(C)N1.
What is the InChIKey of N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SHJSEUALBSRWSE-RREIPUBJSA-N. The full InChI is InChI=1S/C28H26F2N4O4/c1-5-22(25-26(31-4)34-28(2,3)15-37-25)38-23-11-10-18(12-21(23)30)33-27(36)20-14-32-13-19(24(20)35)16-6-8-17(29)9-7-16/h5-14,34H,4,15H2,1-3H3,(H,32,35)(H,33,36)/b22-5+.
What are the key properties of N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 520.54 g/mol, XLogP of 5.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1-[3,3-dimethyl-5-(methylideneamino)-2,4-dihydro-1,4-oxazin-6-yl]prop-1-enoxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129014552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).