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

C16H16N6O — CID 122307300

IUPACN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1cccnc1
InChIInChI=1S/C16H16N6O/c23-16(13-4-3-7-17-12-13)19-9-8-18-14-5-6-15(21-20-14)22-10-1-2-11-22/h1-7,10-12H,8-9H2,(H,18,20)(H,19,23)
InChIKeyGJKAGIAUNZHMQG-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.50
Rot. Bonds6

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

N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 122307300) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID122307300
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1cccnc1
InChIInChI=1S/C16H16N6O/c23-16(13-4-3-7-17-12-13)19-9-8-18-14-5-6-15(21-20-14)22-10-1-2-11-22/h1-7,10-12H,8-9H2,(H,18,20)(H,19,23)
InChIKeyGJKAGIAUNZHMQG-UHFFFAOYSA-N
XLogP1.50
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307431
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307519
5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122292729
2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307372
N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926632
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
1-(2-ethylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307316
4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide
CID 122307419

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide (CID 122307300) is N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNc1ccc(-n2cccc2)nn1)c1cccnc1.
What is the InChIKey of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is GJKAGIAUNZHMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(13-4-3-7-17-12-13)19-9-8-18-14-5-6-15(21-20-14)22-10-1-2-11-22/h1-7,10-12H,8-9H2,(H,18,20)(H,19,23).
What are the key properties of N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122307300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).