1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

C14H20N4O — CID 66129481

IUPAC1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cncn2C(C)C)cn1
InChIInChI=1S/C14H20N4O/c1-11(2)18-10-16-9-13(18)8-15-6-12-4-5-14(19-3)17-7-12/h4-5,7,9-11,15H,6,8H2,1-3H3
InChIKeyGZMKUWNSXPFNCN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds6

About 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine

1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (PubChem CID 66129481) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
PubChem CID66129481
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cncn2C(C)C)cn1
InChIInChI=1S/C14H20N4O/c1-11(2)18-10-16-9-13(18)8-15-6-12-4-5-14(19-3)17-7-12/h4-5,7,9-11,15H,6,8H2,1-3H3
InChIKeyGZMKUWNSXPFNCN-UHFFFAOYSA-N
XLogP2.16
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide
CID 66130279
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
1-N-[(6-methoxy-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 114936683
1-(6-methoxy-3-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114554886
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 114936716
1-[3-(difluoromethyl)phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 115526058
1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
CID 131929830

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine (CID 66129481) is 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is COc1ccc(CNCc2cncn2C(C)C)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
The InChIKey is GZMKUWNSXPFNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)18-10-16-9-13(18)8-15-6-12-4-5-14(19-3)17-7-12/h4-5,7,9-11,15H,6,8H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine?
1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 66129481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).