N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine

C14H18N4O — CID 106895882

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCOc1c(C)cnc(CNCc2cccnn2)c1C
InChIInChI=1S/C14H18N4O/c1-10-7-16-13(11(2)14(10)19-3)9-15-8-12-5-4-6-17-18-12/h4-7,15H,8-9H2,1-3H3
InChIKeyKPGKFDQPEHYWQA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.79
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106895882) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106895882
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCOc1c(C)cnc(CNCc2cccnn2)c1C
InChIInChI=1S/C14H18N4O/c1-10-7-16-13(11(2)14(10)19-3)9-15-8-12-5-4-6-17-18-12/h4-7,15H,8-9H2,1-3H3
InChIKeyKPGKFDQPEHYWQA-UHFFFAOYSA-N
XLogP1.79
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 28581727
1-[3-(chloromethyl)phenyl]-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 65024867
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 43826046
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-N,N-dimethylacetamide
CID 43310961
3-ethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 28584690
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28568814
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 65106545

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine (CID 106895882) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine is COc1c(C)cnc(CNCc2cccnn2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is KPGKFDQPEHYWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-7-16-13(11(2)14(10)19-3)9-15-8-12-5-4-6-17-18-12/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 258.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106895882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).