(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide

C15H13N3O3 — CID 56826558

IUPAC(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccncc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3/c1-11-8-9-16-10-13(11)17-15(19)7-6-12-4-2-3-5-14(12)18(20)21/h2-10H,1H3,(H,17,19)/b7-6+
InChIKeyCSGDNLMVPDETAL-VOTSOKGWSA-N
MW283.29 g/mol
LogP2.95
Rot. Bonds4

About (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide

(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 56826558) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID56826558
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccncc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3/c1-11-8-9-16-10-13(11)17-15(19)7-6-12-4-2-3-5-14(12)18(20)21/h2-10H,1H3,(H,17,19)/b7-6+
InChIKeyCSGDNLMVPDETAL-VOTSOKGWSA-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'}

Analyze (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
CID 166201662
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
(E)-3-(2-nitrophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837444
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 890933
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 891253
(E)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 115610170
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 18084528

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide (CID 56826558) is (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide is Cc1ccncc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is CSGDNLMVPDETAL-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11-8-9-16-10-13(11)17-15(19)7-6-12-4-2-3-5-14(12)18(20)21/h2-10H,1H3,(H,17,19)/b7-6+.
What are the key properties of (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-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 (E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 56826558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).