N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide

C15H13N3O3 — CID 127265495

IUPACN-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide
SMILESCNC(=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H13N3O3/c1-16-15(19)12-5-2-11(3-6-12)4-7-13-8-9-14(10-17-13)18(20)21/h2-10H,1H3,(H,16,19)
InChIKeyJAWHJVQKVIOIQW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.52
Rot. Bonds4

About N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide

N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide (PubChem CID 127265495) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide
PubChem CID127265495
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide
SMILESCNC(=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H13N3O3/c1-16-15(19)12-5-2-11(3-6-12)4-7-13-8-9-14(10-17-13)18(20)21/h2-10H,1H3,(H,16,19)
InChIKeyJAWHJVQKVIOIQW-UHFFFAOYSA-N
XLogP2.52
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenol
CID 137308663
2-[4-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 97014182
N-methyl-3-(5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169473566
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
4-[(E)-2-[4-(methylcarbamoyl)phenyl]ethenyl]benzoic acid
CID 134941403
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
N-[4-(5-nitro-2-pyridinyl)but-3-enyl]acetamide
CID 170488639
4-[(E)-2-bromoethenyl]-N-methylbenzamide
CID 165471194
methyl 3-[(E)-2-(5-nitro-2-pyridinyl)ethenyl]furan-2-carboxylate
CID 75494890
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
2-[3-[2-(5-nitro-2-pyridinyl)ethenyl]phenoxy]acetic acid
CID 126809089
N-[(2E,4Z)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
CID 20833660

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide?
The IUPAC name of N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide (CID 127265495) is N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide.
What is the SMILES notation for N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide?
The canonical SMILES for N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide is CNC(=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide?
The InChIKey is JAWHJVQKVIOIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-16-15(19)12-5-2-11(3-6-12)4-7-13-8-9-14(10-17-13)18(20)21/h2-10H,1H3,(H,16,19).
What are the key properties of N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide?
N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide has a molecular weight of 283.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(5-nitro-2-pyridinyl)ethenyl]benzamide is sourced from PubChem (CID 127265495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).