N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide

C15H17FN4O — CID 104668997

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2F)c(C)nn1
InChIInChI=1S/C15H17FN4O/c1-9-5-13(10(2)20-19-9)15(21)18-8-12-4-3-11(7-17)6-14(12)16/h3-6H,7-8,17H2,1-2H3,(H,18,21)
InChIKeyLISJOPDDJCIGPA-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.62
Rot. Bonds4

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104668997) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104668997
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2F)c(C)nn1
InChIInChI=1S/C15H17FN4O/c1-9-5-13(10(2)20-19-9)15(21)18-8-12-4-3-11(7-17)6-14(12)16/h3-6H,7-8,17H2,1-2H3,(H,18,21)
InChIKeyLISJOPDDJCIGPA-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104668997) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(CN)cc2F)c(C)nn1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is LISJOPDDJCIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9-5-13(10(2)20-19-9)15(21)18-8-12-4-3-11(7-17)6-14(12)16/h3-6H,7-8,17H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104668997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).