N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide

C20H14FN3O4 — CID 72687254

IUPACN-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C20H14FN3O4/c21-15-5-7-17(8-6-15)28-18-9-10-19(22-13-18)23-20(25)11-4-14-2-1-3-16(12-14)24(26)27/h1-13H,(H,22,23,25)
InChIKeySDMMVRBSBHZQNE-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.57
Rot. Bonds6

About N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide

N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 72687254) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide
PubChem CID72687254
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC NameN-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C20H14FN3O4/c21-15-5-7-17(8-6-15)28-18-9-10-19(22-13-18)23-20(25)11-4-14-2-1-3-16(12-14)24(26)27/h1-13H,(H,22,23,25)
InChIKeySDMMVRBSBHZQNE-UHFFFAOYSA-N
XLogP4.57
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3489821
N-(5-iodo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 76873790
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
CID 4992923
3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide
CID 76869597
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
(E)-N-[4-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7719725
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide
CID 115344407
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide (CID 72687254) is N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccc(F)cc2)cn1.
What is the InChIKey of N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is SDMMVRBSBHZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-15-5-7-17(8-6-15)28-18-9-10-19(22-13-18)23-20(25)11-4-14-2-1-3-16(12-14)24(26)27/h1-13H,(H,22,23,25).
What are the key properties of N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide?
N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 379.35 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 72687254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).