1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine

C17H23N3O — CID 105175318

IUPAC1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1cncc(OC)c1
InChIInChI=1S/C17H23N3O/c1-3-8-20-17(5-4-14-6-9-18-10-7-14)15-11-16(21-2)13-19-12-15/h6-7,9-13,17,20H,3-5,8H2,1-2H3
InChIKeyWHEGWMJPOLHHFH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.16
Rot. Bonds8

About 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine

1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 105175318) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
PubChem CID105175318
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1cncc(OC)c1
InChIInChI=1S/C17H23N3O/c1-3-8-20-17(5-4-14-6-9-18-10-7-14)15-11-16(21-2)13-19-12-15/h6-7,9-13,17,20H,3-5,8H2,1-2H3
InChIKeyWHEGWMJPOLHHFH-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-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-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-propylpropan-1-amine
CID 105025931
N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
N-ethyl-1-(5-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105173949
1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 107130013
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 105026112
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
1-(furan-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105146972
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
[1-(5-methoxy-3-pyridinyl)-4-phenylbutyl]hydrazine
CID 105329812
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine (CID 105175318) is 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine is CCCNC(CCc1ccncc1)c1cncc(OC)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is WHEGWMJPOLHHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-20-17(5-4-14-6-9-18-10-7-14)15-11-16(21-2)13-19-12-15/h6-7,9-13,17,20H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105175318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).