3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine

C15H19N3O — CID 146273628

IUPAC3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCOc1ccc(CCCNCc2ccncc2)cn1
InChIInChI=1S/C15H19N3O/c1-19-15-5-4-13(12-18-15)3-2-8-17-11-14-6-9-16-10-7-14/h4-7,9-10,12,17H,2-3,8,11H2,1H3
InChIKeyWSTIVMUZFIIXFL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds7

About 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine

3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 146273628) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID146273628
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCOc1ccc(CCCNCc2ccncc2)cn1
InChIInChI=1S/C15H19N3O/c1-19-15-5-4-13(12-18-15)3-2-8-17-11-14-6-9-16-10-7-14/h4-7,9-10,12,17H,2-3,8,11H2,1H3
InChIKeyWSTIVMUZFIIXFL-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
N-[(6-methoxy-3-pyridinyl)methyl]-2-quinolin-8-ylethanamine
CID 167841665
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 114936928

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine (CID 146273628) is 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine is COc1ccc(CCCNCc2ccncc2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is WSTIVMUZFIIXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-5-4-13(12-18-15)3-2-8-17-11-14-6-9-16-10-7-14/h4-7,9-10,12,17H,2-3,8,11H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 146273628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).