tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate

C16H23N5O2 — CID 66958566

IUPACtert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1c(N)cnc2cccnc12
InChIInChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)20-9-5-8-18-13-11(17)10-21-12-6-4-7-19-14(12)13/h4,6-7,10H,5,8-9,17H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyBUMLQUBQAZCQNP-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.54
Rot. Bonds5

About tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate

tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate (PubChem CID 66958566) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate
PubChem CID66958566
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nametert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1c(N)cnc2cccnc12
InChIInChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)20-9-5-8-18-13-11(17)10-21-12-6-4-7-19-14(12)13/h4,6-7,10H,5,8-9,17H2,1-3H3,(H,18,21)(H,20,22)
InChIKeyBUMLQUBQAZCQNP-UHFFFAOYSA-N
XLogP2.54
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]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 tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate (CID 66958566) is tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1c(N)cnc2cccnc12.
What is the InChIKey of tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate?
The InChIKey is BUMLQUBQAZCQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)20-9-5-8-18-13-11(17)10-21-12-6-4-7-19-14(12)13/h4,6-7,10H,5,8-9,17H2,1-3H3,(H,18,21)(H,20,22).
What are the key properties of tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-amino-1,5-naphthyridin-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 66958566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).