N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

C16H22N4O — CID 105175289

IUPACN-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)c1cc(C)nnc1CC
InChIInChI=1S/C16H22N4O/c1-5-15-14(7-11(3)19-20-15)16(18-6-2)12-8-13(21-4)10-17-9-12/h7-10,16,18H,5-6H2,1-4H3
InChIKeyBBFRXNJRJYPSEA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds6

About N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105175289) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID105175289
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)c1cc(C)nnc1CC
InChIInChI=1S/C16H22N4O/c1-5-15-14(7-11(3)19-20-15)16(18-6-2)12-8-13(21-4)10-17-9-12/h7-10,16,18H,5-6H2,1-4H3
InChIKeyBBFRXNJRJYPSEA-UHFFFAOYSA-N
XLogP2.45
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095248
N-[(3-ethyl-1-methylpyrazol-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 102812742
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-ethylphenyl)methyl]ethanamine
CID 105121574
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105026071
[(3-ethyl-6-methylpyridazin-4-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105328638
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
N-[(3-ethyl-6-methylpyridazin-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105171145
N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025798
1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093671
N-[(4-chloro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105026066
N-[(2-bromo-3,4-difluorophenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 107539197

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (CID 105175289) is N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(OC)c1)c1cc(C)nnc1CC.
What is the InChIKey of N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is BBFRXNJRJYPSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-15-14(7-11(3)19-20-15)16(18-6-2)12-8-13(21-4)10-17-9-12/h7-10,16,18H,5-6H2,1-4H3.
What are the key properties of N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105175289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).