3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide

C23H17N5O6 — CID 4992923

IUPAC3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C23H17N5O6/c29-22(12-10-16-4-1-6-18(14-16)27(31)32)25-20-8-3-9-21(24-20)26-23(30)13-11-17-5-2-7-19(15-17)28(33)34/h1-15H,(H2,24,25,26,29,30)
InChIKeyOXFOXDONSXMRPL-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.20
Rot. Bonds8

About 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide

3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide (PubChem CID 4992923) has the molecular formula C23H17N5O6 and a molecular weight of 459.42 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
PubChem CID4992923
Molecular FormulaC23H17N5O6
Molecular Weight459.42 g/mol
Exact Mass459.12
IUPAC Name3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C23H17N5O6/c29-22(12-10-16-4-1-6-18(14-16)27(31)32)25-20-8-3-9-21(24-20)26-23(30)13-11-17-5-2-7-19(15-17)28(33)34/h1-15H,(H2,24,25,26,29,30)
InChIKeyOXFOXDONSXMRPL-UHFFFAOYSA-N
XLogP4.20
TPSA157.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
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
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
N-(4-methyl-1,3-thiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 878259
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide?
The IUPAC name of 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide (CID 4992923) is 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide?
The InChIKey is OXFOXDONSXMRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O6/c29-22(12-10-16-4-1-6-18(14-16)27(31)32)25-20-8-3-9-21(24-20)26-23(30)13-11-17-5-2-7-19(15-17)28(33)34/h1-15H,(H2,24,25,26,29,30).
What are the key properties of 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide?
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide has a molecular weight of 459.42 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 4992923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).