N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine

C15H19N3O — CID 106503634

IUPACN'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ccccc2)nc1
InChIInChI=1S/C15H19N3O/c1-19-14-8-9-15(17-12-14)18(11-5-10-16)13-6-3-2-4-7-13/h2-4,6-9,12H,5,10-11,16H2,1H3
InChIKeyTWBIDVAAEBQBGK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds6

About N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine

N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine (PubChem CID 106503634) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
PubChem CID106503634
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ccccc2)nc1
InChIInChI=1S/C15H19N3O/c1-19-14-8-9-15(17-12-14)18(11-5-10-16)13-6-3-2-4-7-13/h2-4,6-9,12H,5,10-11,16H2,1H3
InChIKeyTWBIDVAAEBQBGK-UHFFFAOYSA-N
XLogP2.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine (CID 106503634) is N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine is COc1ccc(N(CCCN)c2ccccc2)nc1.
What is the InChIKey of N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine?
The InChIKey is TWBIDVAAEBQBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-8-9-15(17-12-14)18(11-5-10-16)13-6-3-2-4-7-13/h2-4,6-9,12H,5,10-11,16H2,1H3.
What are the key properties of N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine?
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 106503634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).