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

C30H44N8 — CID 5330139

IUPAC2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine
SMILESCN1CCN(CCCNc2cc3nc(NCCCN4CCN(C)CC4)c(-c4ccccc4)cc3cn2)CC1
InChIInChI=1S/C30H44N8/c1-35-14-18-37(19-15-35)12-6-10-31-29-23-28-26(24-33-29)22-27(25-8-4-3-5-9-25)30(34-28)32-11-7-13-38-20-16-36(2)17-21-38/h3-5,8-9,22-24H,6-7,10-21H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyFYWYYGLUFUROPO-UHFFFAOYSA-N
MW516.74 g/mol
LogP3.40
Rot. Bonds11

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

2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine (PubChem CID 5330139) has the molecular formula C30H44N8 and a molecular weight of 516.74 g/mol. Its IUPAC name is 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine
PubChem CID5330139
Molecular FormulaC30H44N8
Molecular Weight516.74 g/mol
Exact Mass516.37
IUPAC Name2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine
SMILESCN1CCN(CCCNc2cc3nc(NCCCN4CCN(C)CC4)c(-c4ccccc4)cc3cn2)CC1
InChIInChI=1S/C30H44N8/c1-35-14-18-37(19-15-35)12-6-10-31-29-23-28-26(24-33-29)22-27(25-8-4-3-5-9-25)30(34-28)32-11-7-13-38-20-16-36(2)17-21-38/h3-5,8-9,22-24H,6-7,10-21H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyFYWYYGLUFUROPO-UHFFFAOYSA-N
XLogP3.40
TPSA62.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.74
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine?
The IUPAC name of 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine (CID 5330139) is 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine is CN1CCN(CCCNc2cc3nc(NCCCN4CCN(C)CC4)c(-c4ccccc4)cc3cn2)CC1.
What is the InChIKey of 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine?
The InChIKey is FYWYYGLUFUROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N8/c1-35-14-18-37(19-15-35)12-6-10-31-29-23-28-26(24-33-29)22-27(25-8-4-3-5-9-25)30(34-28)32-11-7-13-38-20-16-36(2)17-21-38/h3-5,8-9,22-24H,6-7,10-21H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine?
2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine has a molecular weight of 516.74 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1,6-naphthyridine-2,7-diamine is sourced from PubChem (CID 5330139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).