4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide

C19H20N6O5 — CID 10431799

IUPAC4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC(CC(N)=O)C(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C19H20N6O5/c1-11(26)22-14-4-2-12(3-5-14)17(28)23-15(10-16(20)27)19(30)25-24-18(29)13-6-8-21-9-7-13/h2-9,15H,10H2,1H3,(H2,20,27)(H,22,26)(H,23,28)(H,24,29)(H,25,30)
InChIKeyURNAKJTXXOZQAP-UHFFFAOYSA-N
MW412.41 g/mol
LogP-0.52
Rot. Bonds7

About 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide

4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 10431799) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide
PubChem CID10431799
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC Name4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC(CC(N)=O)C(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C19H20N6O5/c1-11(26)22-14-4-2-12(3-5-14)17(28)23-15(10-16(20)27)19(30)25-24-18(29)13-6-8-21-9-7-13/h2-9,15H,10H2,1H3,(H2,20,27)(H,22,26)(H,23,28)(H,24,29)(H,25,30)
InChIKeyURNAKJTXXOZQAP-UHFFFAOYSA-N
XLogP-0.52
TPSA172.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide 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

N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]acetamide
CID 24838768
N'-[(2R)-2-aminopropanoyl]pyridine-4-carbohydrazide
CID 24838770
2-[[4-[(4-cyanobenzoyl)amino]benzoyl]amino]-N-[4-[[3-hydroxy-2-propan-2-yloxy-4-(pyridin-4-ylcarbamoyl)phenyl]carbamoyl]phenyl]butanediamide
CID 146663125
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
N-[(2S)-4-methyl-1-oxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]pentan-2-yl]pyrazine-2-carboxamide
CID 146575761
methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
CID 43407026
(2,2,2-trifluoroacetyl) (2S)-4-amino-4-oxo-2-[[(2S)-2-[[(2S)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoyl]amino]butanoate
CID 134608606
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide (CID 10431799) is 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)NC(CC(N)=O)C(=O)NNC(=O)c2ccncc2)cc1.
What is the InChIKey of 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is URNAKJTXXOZQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c1-11(26)22-14-4-2-12(3-5-14)17(28)23-15(10-16(20)27)19(30)25-24-18(29)13-6-8-21-9-7-13/h2-9,15H,10H2,1H3,(H2,20,27)(H,22,26)(H,23,28)(H,24,29)(H,25,30).
What are the key properties of 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide?
4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 412.41 g/mol, XLogP of -0.52, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-amino-1,4-dioxo-1-[2-(pyridine-4-carbonyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 10431799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).