3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate

C26H29N7O4 — CID 11591482

IUPAC3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate
SMILESCc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChIInChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)
InChIKeyRLXLNYXAIXVZCE-UHFFFAOYSA-N
MW503.56 g/mol
LogP4.36
Rot. Bonds10

About 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate

3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate (PubChem CID 11591482) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate.

Molecular Properties

Compound Name3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate
PubChem CID11591482
Molecular FormulaC26H29N7O4
Molecular Weight503.56 g/mol
Exact Mass503.23
IUPAC Name3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate
SMILESCc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChIInChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)
InChIKeyRLXLNYXAIXVZCE-UHFFFAOYSA-N
XLogP4.36
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate 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 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate?
The IUPAC name of 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate (CID 11591482) is 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate.
What is the SMILES notation for 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate?
The canonical SMILES for 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate is Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1.
What is the InChIKey of 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate?
The InChIKey is RLXLNYXAIXVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35).
What are the key properties of 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate?
3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate has a molecular weight of 503.56 g/mol, XLogP of 4.36, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate is sourced from PubChem (CID 11591482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).