(2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide

C21H21N5O2 — CID 144552622

IUPAC(2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide
SMILESC=C/C(=N\N=C)C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C21H21N5O2/c1-4-18(25-22-2)21(28)24-12-14-9-17(13-23-11-14)15-5-7-19-16(10-15)6-8-20(27)26(19)3/h4-5,7,9-11,13H,1-2,6,8,12H2,3H3,(H,24,28)/b25-18+
InChIKeyZKDKPSNBOKSZDV-XIEYBQDHSA-N
MW375.43 g/mol
LogP2.52
Rot. Bonds6

About (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide

(2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide (PubChem CID 144552622) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide.

Molecular Properties

Compound Name(2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide
PubChem CID144552622
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide
SMILESC=C/C(=N\N=C)C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C21H21N5O2/c1-4-18(25-22-2)21(28)24-12-14-9-17(13-23-11-14)15-5-7-19-16(10-15)6-8-20(27)26(19)3/h4-5,7,9-11,13H,1-2,6,8,12H2,3H3,(H,24,28)/b25-18+
InChIKeyZKDKPSNBOKSZDV-XIEYBQDHSA-N
XLogP2.52
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide?
The IUPAC name of (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide (CID 144552622) is (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide.
What is the SMILES notation for (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide?
The canonical SMILES for (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide is C=C/C(=N\N=C)C(=O)NCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide?
The InChIKey is ZKDKPSNBOKSZDV-XIEYBQDHSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-4-18(25-22-2)21(28)24-12-14-9-17(13-23-11-14)15-5-7-19-16(10-15)6-8-20(27)26(19)3/h4-5,7,9-11,13H,1-2,6,8,12H2,3H3,(H,24,28)/b25-18+.
What are the key properties of (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide?
(2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide has a molecular weight of 375.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide is sourced from PubChem (CID 144552622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).