N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide

C14H15ClN4O2 — CID 62849241

IUPACN-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
SMILESNc1cc(NC(=O)CCCn2ncccc2=O)ccc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-6-5-10(9-12(11)16)18-13(20)3-2-8-19-14(21)4-1-7-17-19/h1,4-7,9H,2-3,8,16H2,(H,18,20)
InChIKeyDKOLOKVTKWJRIB-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.90
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide

N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide (PubChem CID 62849241) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
PubChem CID62849241
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
SMILESNc1cc(NC(=O)CCCn2ncccc2=O)ccc1Cl
InChIInChI=1S/C14H15ClN4O2/c15-11-6-5-10(9-12(11)16)18-13(20)3-2-8-19-14(21)4-1-7-17-19/h1,4-7,9H,2-3,8,16H2,(H,18,20)
InChIKeyDKOLOKVTKWJRIB-UHFFFAOYSA-N
XLogP1.90
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
CID 62850123
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106668037
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
CID 80579065
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
CID 132575924
N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one
CID 62848712
N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
CID 43575264

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide (CID 62849241) is N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide is Nc1cc(NC(=O)CCCn2ncccc2=O)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
The InChIKey is DKOLOKVTKWJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-11-6-5-10(9-12(11)16)18-13(20)3-2-8-19-14(21)4-1-7-17-19/h1,4-7,9H,2-3,8,16H2,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide?
N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide has a molecular weight of 306.75 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide is sourced from PubChem (CID 62849241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).