4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide

C20H17N5O3 — CID 122307419

IUPAC4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17N5O3/c26-15-13-17(28-16-6-2-1-5-14(15)16)20(27)22-10-9-21-18-7-8-19(24-23-18)25-11-3-4-12-25/h1-8,11-13H,9-10H2,(H,21,23)(H,22,27)
InChIKeyNBTYVJFREAWRJQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.22
Rot. Bonds6

About 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide

4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide (PubChem CID 122307419) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide
PubChem CID122307419
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17N5O3/c26-15-13-17(28-16-6-2-1-5-14(15)16)20(27)22-10-9-21-18-7-8-19(24-23-18)25-11-3-4-12-25/h1-8,11-13H,9-10H2,(H,21,23)(H,22,27)
InChIKeyNBTYVJFREAWRJQ-UHFFFAOYSA-N
XLogP2.22
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide (CID 122307419) is 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide is O=C(NCCNc1ccc(-n2cccc2)nn1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide?
The InChIKey is NBTYVJFREAWRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-15-13-17(28-16-6-2-1-5-14(15)16)20(27)22-10-9-21-18-7-8-19(24-23-18)25-11-3-4-12-25/h1-8,11-13H,9-10H2,(H,21,23)(H,22,27).
What are the key properties of 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide?
4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 122307419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).