(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide

C20H17ClFN5O2 — CID 167269576

IUPAC(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
SMILESN/C(=C\Nc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
InChIInChI=1S/C20H17ClFN5O2/c21-18-17(8-9-25-19(18)24)29-16-7-6-13(10-14(16)22)27-20(28)15(23)11-26-12-4-2-1-3-5-12/h1-11,26H,23H2,(H2,24,25)(H,27,28)/b15-11-
InChIKeyAAQRUSRBYIIOEB-PTNGSMBKSA-N
MW413.84 g/mol
LogP4.10
Rot. Bonds6

About (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide

(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide (PubChem CID 167269576) has the molecular formula C20H17ClFN5O2 and a molecular weight of 413.84 g/mol. Its IUPAC name is (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
PubChem CID167269576
Molecular FormulaC20H17ClFN5O2
Molecular Weight413.84 g/mol
Exact Mass413.11
IUPAC Name(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
SMILESN/C(=C\Nc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
InChIInChI=1S/C20H17ClFN5O2/c21-18-17(8-9-25-19(18)24)29-16-7-6-13(10-14(16)22)27-20(28)15(23)11-26-12-4-2-1-3-5-12/h1-11,26H,23H2,(H2,24,25)(H,27,28)/b15-11-
InChIKeyAAQRUSRBYIIOEB-PTNGSMBKSA-N
XLogP4.10
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide with MolForge

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Related Compounds

2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 171481465
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
(2Z)-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-N'-(4-fluorophenyl)-2-[[formyl(2-propan-2-yloxyethyl)amino]methylidene]-N'-methylpropanediamide
CID 155177391
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-3H-pyridine-5-carboxamide
CID 68735331
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
CID 155538576
N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
CID 143062235
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545400
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
CID 90338904
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxamide
CID 155177383
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide
CID 90643473
[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxo-1-pyridinyl]methyl phosphate
CID 159266494

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide?
The IUPAC name of (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide (CID 167269576) is (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide.
What is the SMILES notation for (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide?
The canonical SMILES for (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide is N/C(=C\Nc1ccccc1)C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.
What is the InChIKey of (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide?
The InChIKey is AAQRUSRBYIIOEB-PTNGSMBKSA-N. The full InChI is InChI=1S/C20H17ClFN5O2/c21-18-17(8-9-25-19(18)24)29-16-7-6-13(10-14(16)22)27-20(28)15(23)11-26-12-4-2-1-3-5-12/h1-11,26H,23H2,(H2,24,25)(H,27,28)/b15-11-.
What are the key properties of (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide?
(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide has a molecular weight of 413.84 g/mol, XLogP of 4.10, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide is sourced from PubChem (CID 167269576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).