6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine

C15H18FN5 — CID 133281138

IUPAC6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
SMILESCN(c1cccc(F)n1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C15H18FN5/c1-20(14-7-2-6-13(16)18-14)12-5-4-10-21(11-12)15-8-3-9-17-19-15/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyFRRSNOASRIEOCY-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.12
Rot. Bonds3

About 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine

6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine (PubChem CID 133281138) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
PubChem CID133281138
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
SMILESCN(c1cccc(F)n1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C15H18FN5/c1-20(14-7-2-6-13(16)18-14)12-5-4-10-21(11-12)15-8-3-9-17-19-15/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyFRRSNOASRIEOCY-UHFFFAOYSA-N
XLogP2.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167988818
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazin-2-amine
CID 133281189
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
CID 133379059
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95336321
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 133281109
(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334844

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine (CID 133281138) is 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine is CN(c1cccc(F)n1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
The InChIKey is FRRSNOASRIEOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-20(14-7-2-6-13(16)18-14)12-5-4-10-21(11-12)15-8-3-9-17-19-15/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine has a molecular weight of 287.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 133281138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).