(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide

C19H15N3O4 — CID 78784337

IUPAC(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C/C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H15N3O4/c1-26-18-12-5-3-10-16(18)21-19(23)15(13-20)9-6-8-14-7-2-4-11-17(14)22(24)25/h2-12H,1H3,(H,21,23)/b8-6?,15-9+
InChIKeyXNCISHPSFYTFIK-PJEGCDHPSA-N
MW349.35 g/mol
LogP3.71
Rot. Bonds6

About (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide

(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide (PubChem CID 78784337) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
PubChem CID78784337
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C/C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H15N3O4/c1-26-18-12-5-3-10-16(18)21-19(23)15(13-20)9-6-8-14-7-2-4-11-17(14)22(24)25/h2-12H,1H3,(H,21,23)/b8-6?,15-9+
InChIKeyXNCISHPSFYTFIK-PJEGCDHPSA-N
XLogP3.71
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2,6-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 4022232
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
(Z)-3-(4-bromo-3-nitrophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 124658495
(Z)-3-(2-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 2688789
N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
CID 5108255
(Z)-2-cyano-3-(2-iodophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 2688799
(Z)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 99910383
(E)-2-cyano-3-[2-(dimethylamino)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide
CID 126006719
(2E,4E)-2-cyano-N-(furan-2-ylmethyl)-5-(2-nitrophenyl)penta-2,4-dienamide
CID 2688555
(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 6283081
(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
CID 2351530
(Z)-2-cyano-3-(cyclopropylamino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821163

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The IUPAC name of (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide (CID 78784337) is (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide is COc1ccccc1NC(=O)/C(C#N)=C/C=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
The InChIKey is XNCISHPSFYTFIK-PJEGCDHPSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-26-18-12-5-3-10-16(18)21-19(23)15(13-20)9-6-8-14-7-2-4-11-17(14)22(24)25/h2-12H,1H3,(H,21,23)/b8-6?,15-9+.
What are the key properties of (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide?
(2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide has a molecular weight of 349.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-N-(2-methoxyphenyl)-5-(2-nitrophenyl)penta-2,4-dienamide is sourced from PubChem (CID 78784337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).