N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide

C29H32N12O2 — CID 23525615

IUPACN,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide
SMILESNc1nc2cccnc2c2c1ncn2CCCCNC(=O)CC(=O)NCCCCn1cnc2c(N)nc3cccnc3c21
InChIInChI=1S/C29H32N12O2/c30-28-24-26(22-18(38-28)7-5-11-34-22)40(16-36-24)13-3-1-9-32-20(42)15-21(43)33-10-2-4-14-41-17-37-25-27(41)23-19(39-29(25)31)8-6-12-35-23/h5-8,11-12,16-17H,1-4,9-10,13-15H2,(H2,30,38)(H2,31,39)(H,32,42)(H,33,43)
InChIKeyVUTAZUQANDTOEY-UHFFFAOYSA-N
MW580.66 g/mol
LogP2.32
Rot. Bonds12

About N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide

N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide (PubChem CID 23525615) has the molecular formula C29H32N12O2 and a molecular weight of 580.66 g/mol. Its IUPAC name is N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide
PubChem CID23525615
Molecular FormulaC29H32N12O2
Molecular Weight580.66 g/mol
Exact Mass580.28
IUPAC NameN,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide
SMILESNc1nc2cccnc2c2c1ncn2CCCCNC(=O)CC(=O)NCCCCn1cnc2c(N)nc3cccnc3c21
InChIInChI=1S/C29H32N12O2/c30-28-24-26(22-18(38-28)7-5-11-34-22)40(16-36-24)13-3-1-9-32-20(42)15-21(43)33-10-2-4-14-41-17-37-25-27(41)23-19(39-29(25)31)8-6-12-35-23/h5-8,11-12,16-17H,1-4,9-10,13-15H2,(H2,30,38)(H2,31,39)(H,32,42)(H,33,43)
InChIKeyVUTAZUQANDTOEY-UHFFFAOYSA-N
XLogP2.32
TPSA197.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.66
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide?
The IUPAC name of N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide (CID 23525615) is N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide.
What is the SMILES notation for N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide?
The canonical SMILES for N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide is Nc1nc2cccnc2c2c1ncn2CCCCNC(=O)CC(=O)NCCCCn1cnc2c(N)nc3cccnc3c21.
What is the InChIKey of N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide?
The InChIKey is VUTAZUQANDTOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N12O2/c30-28-24-26(22-18(38-28)7-5-11-34-22)40(16-36-24)13-3-1-9-32-20(42)15-21(43)33-10-2-4-14-41-17-37-25-27(41)23-19(39-29(25)31)8-6-12-35-23/h5-8,11-12,16-17H,1-4,9-10,13-15H2,(H2,30,38)(H2,31,39)(H,32,42)(H,33,43).
What are the key properties of N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide?
N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide has a molecular weight of 580.66 g/mol, XLogP of 2.32, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(4-aminoimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]propanediamide is sourced from PubChem (CID 23525615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).