7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine

C24H33N5O2 — CID 5330131

IUPAC7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
SMILESCCN(CC)CCCCNC1=CC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)N
InChIInChI=1S/C24H33N5O2/c1-5-29(6-2)10-8-7-9-26-23-15-22-18(16-27-23)13-21(24(25)28-22)17-11-19(30-3)14-20(12-17)31-4/h11-16H,5-10H2,1-4H3,(H2,25,28)(H,26,27)
InChIKeyCWWGWUITOJWIQB-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.10
Rot. Bonds11

About 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine

7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine (PubChem CID 5330131) has the molecular formula C24H33N5O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
PubChem CID5330131
Molecular FormulaC24H33N5O2
Molecular Weight423.60 g/mol
Exact Mass423.26
IUPAC Name7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
SMILESCCN(CC)CCCCNC1=CC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)N
InChIInChI=1S/C24H33N5O2/c1-5-29(6-2)10-8-7-9-26-23-15-22-18(16-27-23)13-21(24(25)28-22)17-11-19(30-3)14-20(12-17)31-4/h11-16H,5-10H2,1-4H3,(H2,25,28)(H,26,27)
InChIKeyCWWGWUITOJWIQB-UHFFFAOYSA-N
XLogP4.10
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity494

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
The IUPAC name of 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine (CID 5330131) is 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine.
What is the SMILES notation for 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
The canonical SMILES for 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine is CCN(CC)CCCCNC1=CC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)N.
What is the InChIKey of 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
The InChIKey is CWWGWUITOJWIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-5-29(6-2)10-8-7-9-26-23-15-22-18(16-27-23)13-21(24(25)28-22)17-11-19(30-3)14-20(12-17)31-4/h11-16H,5-10H2,1-4H3,(H2,25,28)(H,26,27).
What are the key properties of 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine has a molecular weight of 423.60 g/mol, XLogP of 4.10, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine is sourced from PubChem (CID 5330131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).