N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide

C22H23N3O4 — CID 87871388

IUPACN-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide
SMILESO=C(CCC1=CCCN(Cc2ccccc2NC(=O)c2ccccc2)C1=O)NO
InChIInChI=1S/C22H23N3O4/c26-20(24-29)13-12-17-10-6-14-25(22(17)28)15-18-9-4-5-11-19(18)23-21(27)16-7-2-1-3-8-16/h1-5,7-11,29H,6,12-15H2,(H,23,27)(H,24,26)
InChIKeyCDJCECQZHHBAGN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide

N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide (PubChem CID 87871388) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide
PubChem CID87871388
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide
SMILESO=C(CCC1=CCCN(Cc2ccccc2NC(=O)c2ccccc2)C1=O)NO
InChIInChI=1S/C22H23N3O4/c26-20(24-29)13-12-17-10-6-14-25(22(17)28)15-18-9-4-5-11-19(18)23-21(27)16-7-2-1-3-8-16/h1-5,7-11,29H,6,12-15H2,(H,23,27)(H,24,26)
InChIKeyCDJCECQZHHBAGN-UHFFFAOYSA-N
XLogP2.88
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide?
The IUPAC name of N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide (CID 87871388) is N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide is O=C(CCC1=CCCN(Cc2ccccc2NC(=O)c2ccccc2)C1=O)NO.
What is the InChIKey of N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide?
The InChIKey is CDJCECQZHHBAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20(24-29)13-12-17-10-6-14-25(22(17)28)15-18-9-4-5-11-19(18)23-21(27)16-7-2-1-3-8-16/h1-5,7-11,29H,6,12-15H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide?
N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[3-(hydroxyamino)-3-oxopropyl]-6-oxo-2,3-dihydropyridin-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 87871388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).