N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine

C15H19N3O — CID 43319000

IUPACN'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ccccn2)cc1
InChIInChI=1S/C15H19N3O/c1-19-14-8-6-13(7-9-14)18(12-4-10-16)15-5-2-3-11-17-15/h2-3,5-9,11H,4,10,12,16H2,1H3
InChIKeyOGZWDNAGMKUWAM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds6

About N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine

N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine (PubChem CID 43319000) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
PubChem CID43319000
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ccccn2)cc1
InChIInChI=1S/C15H19N3O/c1-19-14-8-6-13(7-9-14)18(12-4-10-16)15-5-2-3-11-17-15/h2-3,5-9,11H,4,10,12,16H2,1H3
InChIKeyOGZWDNAGMKUWAM-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'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine (CID 43319000) is N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine is COc1ccc(N(CCCN)c2ccccn2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is OGZWDNAGMKUWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-8-6-13(7-9-14)18(12-4-10-16)15-5-2-3-11-17-15/h2-3,5-9,11H,4,10,12,16H2,1H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine?
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-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'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43319000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).