6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide

C16H18FN5O2 — CID 133339227

IUPAC6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCNC(=O)c2cccc(F)c2)nn1
InChIInChI=1S/C16H18FN5O2/c1-18-16(24)13-6-7-14(22-21-13)19-8-3-9-20-15(23)11-4-2-5-12(17)10-11/h2,4-7,10H,3,8-9H2,1H3,(H,18,24)(H,19,22)(H,20,23)
InChIKeyVRIIWRNZVVZILI-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.21
Rot. Bonds7

About 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide

6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133339227) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133339227
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCCNC(=O)c2cccc(F)c2)nn1
InChIInChI=1S/C16H18FN5O2/c1-18-16(24)13-6-7-14(22-21-13)19-8-3-9-20-15(23)11-4-2-5-12(17)10-11/h2,4-7,10H,3,8-9H2,1H3,(H,18,24)(H,19,22)(H,20,23)
InChIKeyVRIIWRNZVVZILI-UHFFFAOYSA-N
XLogP1.21
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide
CID 82331113
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
CID 133329134
N-[3-[(N,N'-dimethylcarbamimidoyl)amino]propyl]-3-fluorobenzamide;hydroiodide
CID 111117528
3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide
CID 133339228
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
3-fluoro-N-octadecylbenzamide
CID 91711883
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide (CID 133339227) is 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCCNC(=O)c2cccc(F)c2)nn1.
What is the InChIKey of 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is VRIIWRNZVVZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-18-16(24)13-6-7-14(22-21-13)19-8-3-9-20-15(23)11-4-2-5-12(17)10-11/h2,4-7,10H,3,8-9H2,1H3,(H,18,24)(H,19,22)(H,20,23).
What are the key properties of 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide?
6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-fluorobenzoyl)amino]propylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).