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

C14H13FN4O — CID 109110345

IUPACN-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cccc(F)c2)nn1
InChIInChI=1S/C14H13FN4O/c1-2-8-16-13-7-6-12(18-19-13)14(20)17-11-5-3-4-10(15)9-11/h2-7,9H,1,8H2,(H,16,19)(H,17,20)
InChIKeyWMTKWQXMIOJWTK-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.47
Rot. Bonds5

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

N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110345) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110345
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC NameN-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cccc(F)c2)nn1
InChIInChI=1S/C14H13FN4O/c1-2-8-16-13-7-6-12(18-19-13)14(20)17-11-5-3-4-10(15)9-11/h2-7,9H,1,8H2,(H,16,19)(H,17,20)
InChIKeyWMTKWQXMIOJWTK-UHFFFAOYSA-N
XLogP2.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.47
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-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120764
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117480
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110344
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110345) is N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2cccc(F)c2)nn1.
What is the InChIKey of N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is WMTKWQXMIOJWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-2-8-16-13-7-6-12(18-19-13)14(20)17-11-5-3-4-10(15)9-11/h2-7,9H,1,8H2,(H,16,19)(H,17,20).
What are the key properties of N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 272.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).