N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine

C16H21N3O2 — CID 63590194

IUPACN'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2cccc(OC)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-14-9-7-13(8-10-14)19(12-4-11-17)15-5-3-6-16(18-15)21-2/h3,5-10H,4,11-12,17H2,1-2H3
InChIKeyWHJLJJOJAYKANZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.59
Rot. Bonds7

About N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine

N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine (PubChem CID 63590194) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine
PubChem CID63590194
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2cccc(OC)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-20-14-9-7-13(8-10-14)19(12-4-11-17)15-5-3-6-16(18-15)21-2/h3,5-10H,4,11-12,17H2,1-2H3
InChIKeyWHJLJJOJAYKANZ-UHFFFAOYSA-N
XLogP2.59
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 63589833
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63590609
N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
CID 62253697
N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 62734340
N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63590009
N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 60870620
N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270852
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 114835416
4-[N-(3-aminopropyl)-4-methoxyanilino]-5-iodo-1H-pyrimidin-6-one
CID 136972514

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine (CID 63590194) is N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine is COc1ccc(N(CCCN)c2cccc(OC)n2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine?
The InChIKey is WHJLJJOJAYKANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14-9-7-13(8-10-14)19(12-4-11-17)15-5-3-6-16(18-15)21-2/h3,5-10H,4,11-12,17H2,1-2H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine?
N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine has a molecular weight of 287.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 63590194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).