N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide

C24H28N4O3 — CID 89099753

IUPACN-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
SMILESO=Nc1ccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4OC3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c29-24(20-17-19-5-1-2-6-23(19)31-18-20)25-11-3-4-12-27-13-15-28(16-14-27)22-9-7-21(26-30)8-10-22/h1-2,5-10,17H,3-4,11-16,18H2,(H,25,29)
InChIKeyRNPVQARXEISHIY-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.58
Rot. Bonds8

About N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide

N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide (PubChem CID 89099753) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
PubChem CID89099753
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
SMILESO=Nc1ccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4OC3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c29-24(20-17-19-5-1-2-6-23(19)31-18-20)25-11-3-4-12-27-13-15-28(16-14-27)22-9-7-21(26-30)8-10-22/h1-2,5-10,17H,3-4,11-16,18H2,(H,25,29)
InChIKeyRNPVQARXEISHIY-UHFFFAOYSA-N
XLogP3.58
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide 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

ethyl 4-[4-[4-(2H-chromene-3-carbonylamino)butyl]piperazin-1-yl]benzoate
CID 24888803
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
CID 46353382
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-7-methoxy-2H-chromene-3-carboxamide
CID 59178325
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321
6-fluoro-N-[4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178309
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-6-fluoro-2H-chromene-3-carboxamide
CID 59178312
N-(3-hydroxybutyl)-2H-chromene-3-carboxamide
CID 111429331
6-methoxy-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 59178314
N-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-3,4-dihydronaphthalene-2-carboxamide
CID 11509733
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide
CID 34193245
6-fluoro-N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide
CID 68906098

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide (CID 89099753) is N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide is O=Nc1ccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4OC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide?
The InChIKey is RNPVQARXEISHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-24(20-17-19-5-1-2-6-23(19)31-18-20)25-11-3-4-12-27-13-15-28(16-14-27)22-9-7-21(26-30)8-10-22/h1-2,5-10,17H,3-4,11-16,18H2,(H,25,29).
What are the key properties of N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide?
N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-nitrosophenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 89099753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).