N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide

C15H15N7O4 — CID 122327152

IUPACN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)c3ccc([N+](=O)[O-])o3)nn2)n1
InChIInChI=1S/C15H15N7O4/c1-10-6-9-21(20-10)13-4-3-12(18-19-13)16-7-8-17-15(23)11-2-5-14(26-11)22(24)25/h2-6,9H,7-8H2,1H3,(H,16,18)(H,17,23)
InChIKeyBQJJJMNUPYZRQS-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.31
Rot. Bonds7

About N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide (PubChem CID 122327152) has the molecular formula C15H15N7O4 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
PubChem CID122327152
Molecular FormulaC15H15N7O4
Molecular Weight357.33 g/mol
Exact Mass357.12
IUPAC NameN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)c3ccc([N+](=O)[O-])o3)nn2)n1
InChIInChI=1S/C15H15N7O4/c1-10-6-9-21(20-10)13-4-3-12(18-19-13)16-7-8-17-15(23)11-2-5-14(26-11)22(24)25/h2-6,9H,7-8H2,1H3,(H,16,18)(H,17,23)
InChIKeyBQJJJMNUPYZRQS-UHFFFAOYSA-N
XLogP1.31
TPSA141.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122288549
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-oxochromene-3-carboxamide
CID 122327100
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
CID 133290911
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-phenoxypropanamide
CID 122327091
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122327307
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-5-nitrofuran-2-carboxamide
CID 122294849
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide (CID 122327152) is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide is Cc1ccn(-c2ccc(NCCNC(=O)c3ccc([N+](=O)[O-])o3)nn2)n1.
What is the InChIKey of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?
The InChIKey is BQJJJMNUPYZRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O4/c1-10-6-9-21(20-10)13-4-3-12(18-19-13)16-7-8-17-15(23)11-2-5-14(26-11)22(24)25/h2-6,9H,7-8H2,1H3,(H,16,18)(H,17,23).
What are the key properties of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 122327152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).