N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide

C13H14N4O3 — CID 16790022

IUPACN-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESNc1ccccc1NC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O3/c14-9-3-1-2-4-10(9)15-11(18)7-8-17-13(20)6-5-12(19)16-17/h1-6H,7-8,14H2,(H,15,18)(H,16,19)
InChIKeyPQJWSZBHFFZKGB-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.15
Rot. Bonds4

About N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide

N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide (PubChem CID 16790022) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
PubChem CID16790022
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
SMILESNc1ccccc1NC(=O)CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O3/c14-9-3-1-2-4-10(9)15-11(18)7-8-17-13(20)6-5-12(19)16-17/h1-6H,7-8,14H2,(H,15,18)(H,16,19)
InChIKeyPQJWSZBHFFZKGB-UHFFFAOYSA-N
XLogP0.15
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
CID 40688091
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-iodophenyl)propanamide
CID 40688096
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyphenyl)acetamide
CID 3750355
N-[2-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 16791038
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 30855514
N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
CID 28945204
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(2-aminophenyl)-3-(5-chloro-2,4-dioxopyrimidin-1-yl)propanamide
CID 66423760

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide (CID 16790022) is N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide is Nc1ccccc1NC(=O)CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
The InChIKey is PQJWSZBHFFZKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-9-3-1-2-4-10(9)15-11(18)7-8-17-13(20)6-5-12(19)16-17/h1-6H,7-8,14H2,(H,15,18)(H,16,19).
What are the key properties of N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide?
N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide has a molecular weight of 274.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide is sourced from PubChem (CID 16790022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).