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

C15H19N3O — CID 43319003

IUPACN'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ccncc2)c1
InChIInChI=1S/C15H19N3O/c1-19-15-5-2-4-14(12-15)18(11-3-8-16)13-6-9-17-10-7-13/h2,4-7,9-10,12H,3,8,11,16H2,1H3
InChIKeyHWHOOQYPNGMPOJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds6

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

N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine (PubChem CID 43319003) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
PubChem CID43319003
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ccncc2)c1
InChIInChI=1S/C15H19N3O/c1-19-15-5-2-4-14(12-15)18(11-3-8-16)13-6-9-17-10-7-13/h2,4-7,9-10,12H,3,8,11,16H2,1H3
InChIKeyHWHOOQYPNGMPOJ-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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Related Compounds

N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270073
6-[N-(3-aminopropyl)-3-methoxyanilino]-2H-1,2,4-triazine-3,5-dione
CID 60871405
5-amino-4-[N-(3-aminopropyl)-3-methoxyanilino]-1H-pyrimidin-6-one
CID 136972523
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43136242
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine (CID 43319003) is N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine is COc1cccc(N(CCCN)c2ccncc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
The InChIKey is HWHOOQYPNGMPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-5-2-4-14(12-15)18(11-3-8-16)13-6-9-17-10-7-13/h2,4-7,9-10,12H,3,8,11,16H2,1H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-pyridin-4-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'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 43319003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).