N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide

C15H13N3O3 — CID 67494338

IUPACN-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccccn1
InChIInChI=1S/C15H13N3O3/c1-11-5-7-13(18(20)21)10-14(11)17-15(19)8-6-12-4-2-3-9-16-12/h2-10H,1H3,(H,17,19)
InChIKeyPMGYGIGUSXUEFM-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.95
Rot. Bonds4

About N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide

N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 67494338) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID67494338
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccccn1
InChIInChI=1S/C15H13N3O3/c1-11-5-7-13(18(20)21)10-14(11)17-15(19)8-6-12-4-2-3-9-16-12/h2-10H,1H3,(H,17,19)
InChIKeyPMGYGIGUSXUEFM-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
(E)-N-(2-methyl-5-nitrophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26576813
(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 897528
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-3-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 84553779
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
3-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 805453
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286
(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92965064
(E)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 6305667

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide (CID 67494338) is N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1ccccn1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is PMGYGIGUSXUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11-5-7-13(18(20)21)10-14(11)17-15(19)8-6-12-4-2-3-9-16-12/h2-10H,1H3,(H,17,19).
What are the key properties of N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide?
N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 283.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 67494338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).