N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide

C16H17FN4O — CID 109110225

IUPACN-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCc2ccccc2F)nn1
InChIInChI=1S/C16H17FN4O/c1-2-10-18-15-8-7-14(20-21-15)16(22)19-11-9-12-5-3-4-6-13(12)17/h2-8H,1,9-11H2,(H,18,21)(H,19,22)
InChIKeyQDJMZNHAADHPLQ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.19
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110225) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110225
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCc2ccccc2F)nn1
InChIInChI=1S/C16H17FN4O/c1-2-10-18-15-8-7-14(20-21-15)16(22)19-11-9-12-5-3-4-6-13(12)17/h2-8H,1,9-11H2,(H,18,21)(H,19,22)
InChIKeyQDJMZNHAADHPLQ-UHFFFAOYSA-N
XLogP2.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-[2-(1H-indol-3-yl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110236
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201
2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094041
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
6-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 113200165
6-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridazine-3-carboxamide
CID 79756979

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110225) is N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)NCCc2ccccc2F)nn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is QDJMZNHAADHPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-2-10-18-15-8-7-14(20-21-15)16(22)19-11-9-12-5-3-4-6-13(12)17/h2-8H,1,9-11H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).