1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine

C13H18N4O — CID 105066124

IUPAC1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCOc1cnccc1C(N)CCc1nccn1C
InChIInChI=1S/C13H18N4O/c1-17-8-7-16-13(17)4-3-11(14)10-5-6-15-9-12(10)18-2/h5-9,11H,3-4,14H2,1-2H3
InChIKeyBDLOITRSBMYBLV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds5

About 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105066124) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105066124
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCOc1cnccc1C(N)CCc1nccn1C
InChIInChI=1S/C13H18N4O/c1-17-8-7-16-13(17)4-3-11(14)10-5-6-15-9-12(10)18-2/h5-9,11H,3-4,14H2,1-2H3
InChIKeyBDLOITRSBMYBLV-UHFFFAOYSA-N
XLogP1.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105066465
1-(2-methoxy-5-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049774
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(3-chloro-4,5-dimethoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530018
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
CID 105187594
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112
1-(3-methoxy-4-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 105065316
N-[(3-methoxy-4-pyridinyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 105064351

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105066124) is 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine is COc1cnccc1C(N)CCc1nccn1C.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is BDLOITRSBMYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-8-7-16-13(17)4-3-11(14)10-5-6-15-9-12(10)18-2/h5-9,11H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105066124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).