3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine

C24H32N6O2 — CID 5330125

IUPAC3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
SMILESCOc1cc(OC)cc(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3nc2N)c1
InChIInChI=1S/C24H32N6O2/c1-29-7-9-30(10-8-29)6-4-5-26-23-15-22-18(16-27-23)13-21(24(25)28-22)17-11-19(31-2)14-20(12-17)32-3/h11-16H,4-10H2,1-3H3,(H2,25,28)(H,26,27)
InChIKeyNLUPPEQIXOCYEE-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.95
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine

3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine (PubChem CID 5330125) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
PubChem CID5330125
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
SMILESCOc1cc(OC)cc(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3nc2N)c1
InChIInChI=1S/C24H32N6O2/c1-29-7-9-30(10-8-29)6-4-5-26-23-15-22-18(16-27-23)13-21(24(25)28-22)17-11-19(31-2)14-20(12-17)32-3/h11-16H,4-10H2,1-3H3,(H2,25,28)(H,26,27)
InChIKeyNLUPPEQIXOCYEE-UHFFFAOYSA-N
XLogP2.95
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine (CID 5330125) is 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine is COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3nc2N)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine?
The InChIKey is NLUPPEQIXOCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-29-7-9-30(10-8-29)6-4-5-26-23-15-22-18(16-27-23)13-21(24(25)28-22)17-11-19(31-2)14-20(12-17)32-3/h11-16H,4-10H2,1-3H3,(H2,25,28)(H,26,27).
What are the key properties of 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine?
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine has a molecular weight of 436.56 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine is sourced from PubChem (CID 5330125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).