N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

C16H15ClN4O4 — CID 122278968

IUPACN-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H15ClN4O4/c1-9(20-15(22)7-6-13(19-20)10-2-3-10)16(23)18-11-4-5-12(17)14(8-11)21(24)25/h4-10H,2-3H2,1H3,(H,18,23)
InChIKeyGZZRWVLWVMFKEQ-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.88
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 122278968) has the molecular formula C16H15ClN4O4 and a molecular weight of 362.77 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
PubChem CID122278968
Molecular FormulaC16H15ClN4O4
Molecular Weight362.77 g/mol
Exact Mass362.08
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H15ClN4O4/c1-9(20-15(22)7-6-13(19-20)10-2-3-10)16(23)18-11-4-5-12(17)14(8-11)21(24)25/h4-10H,2-3H2,1H3,(H,18,23)
InChIKeyGZZRWVLWVMFKEQ-UHFFFAOYSA-N
XLogP2.88
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 122278953
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122162435
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide
CID 122279178
N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076555
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279108
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 122278784
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 122278884
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279060
(2S)-2-[(3aS,7aR)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-methyl-3-nitrophenyl)propanamide
CID 11904871
(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 27493583

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (CID 122278968) is N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)n1nc(C2CC2)ccc1=O.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is GZZRWVLWVMFKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4/c1-9(20-15(22)7-6-13(19-20)10-2-3-10)16(23)18-11-4-5-12(17)14(8-11)21(24)25/h4-10H,2-3H2,1H3,(H,18,23).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 362.77 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 122278968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).