N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine

C24H24N4 — CID 10193837

IUPACN'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESCc1ccc(-c2ccc(-c3cc4ncccc4c(NCCCN)n3)cc2)cc1
InChIInChI=1S/C24H24N4/c1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-16-23-21(4-2-14-26-23)24(28-22)27-15-3-13-25/h2,4-12,14,16H,3,13,15,25H2,1H3,(H,27,28)
InChIKeyOAVRODHKGRKOPG-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.03
Rot. Bonds6

About N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine

N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine (PubChem CID 10193837) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine
PubChem CID10193837
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine
SMILESCc1ccc(-c2ccc(-c3cc4ncccc4c(NCCCN)n3)cc2)cc1
InChIInChI=1S/C24H24N4/c1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-16-23-21(4-2-14-26-23)24(28-22)27-15-3-13-25/h2,4-12,14,16H,3,13,15,25H2,1H3,(H,27,28)
InChIKeyOAVRODHKGRKOPG-UHFFFAOYSA-N
XLogP5.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine (CID 10193837) is N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine is Cc1ccc(-c2ccc(-c3cc4ncccc4c(NCCCN)n3)cc2)cc1.
What is the InChIKey of N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
The InChIKey is OAVRODHKGRKOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-16-23-21(4-2-14-26-23)24(28-22)27-15-3-13-25/h2,4-12,14,16H,3,13,15,25H2,1H3,(H,27,28).
What are the key properties of N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine?
N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine has a molecular weight of 368.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[4-(4-methylphenyl)phenyl]-1,6-naphthyridin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 10193837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).