N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide

C19H20N4O3 — CID 89394295

IUPACN-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccccc1CC(=O)C/C(C)=N/NC(=O)c1ccccn1
InChIInChI=1S/C19H20N4O3/c1-13(22-23-19(26)18-9-5-6-10-20-18)11-16(25)12-15-7-3-4-8-17(15)21-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,26)/b22-13+
InChIKeyQBNDRPWJIJTNLY-LPYMAVHISA-N
MW352.39 g/mol
LogP2.35
Rot. Bonds7

About N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide

N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide (PubChem CID 89394295) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide
PubChem CID89394295
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccccc1CC(=O)C/C(C)=N/NC(=O)c1ccccn1
InChIInChI=1S/C19H20N4O3/c1-13(22-23-19(26)18-9-5-6-10-20-18)11-16(25)12-15-7-3-4-8-17(15)21-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,26)/b22-13+
InChIKeyQBNDRPWJIJTNLY-LPYMAVHISA-N
XLogP2.35
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
N-(3-acetyl-2-hydroxyphenyl)pyridine-2-carboxamide
CID 68621080
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
CID 22568298

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide (CID 89394295) is N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide is CC(=O)Nc1ccccc1CC(=O)C/C(C)=N/NC(=O)c1ccccn1.
What is the InChIKey of N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide?
The InChIKey is QBNDRPWJIJTNLY-LPYMAVHISA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(22-23-19(26)18-9-5-6-10-20-18)11-16(25)12-15-7-3-4-8-17(15)21-14(2)24/h3-10H,11-12H2,1-2H3,(H,21,24)(H,23,26)/b22-13+.
What are the key properties of N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide?
N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2-acetamidophenyl)-4-oxopentan-2-ylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 89394295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).