tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate

C15H21N5O2 — CID 22172710

IUPACtert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1c(N)cnc2cccnc12
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-8-7-18-12-10(16)9-20-11-5-4-6-17-13(11)12/h4-6,9H,7-8,16H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHBADLRJMWQITCI-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.15
Rot. Bonds4

About tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate (PubChem CID 22172710) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate
PubChem CID22172710
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1c(N)cnc2cccnc12
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-8-7-18-12-10(16)9-20-11-5-4-6-17-13(11)12/h4-6,9H,7-8,16H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHBADLRJMWQITCI-UHFFFAOYSA-N
XLogP2.15
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate (CID 22172710) is tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1c(N)cnc2cccnc12.
What is the InChIKey of tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate?
The InChIKey is HBADLRJMWQITCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-8-7-18-12-10(16)9-20-11-5-4-6-17-13(11)12/h4-6,9H,7-8,16H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate has a molecular weight of 303.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-amino-1,5-naphthyridin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 22172710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).