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

C16H21N3O2 — CID 57287646

IUPACtert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1ccc2ncccc2n1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)18-11-4-6-12-8-9-13-14(19-12)7-5-10-17-13/h5,7-10H,4,6,11H2,1-3H3,(H,18,20)
InChIKeyFZXVAMIILZRFAQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.09
Rot. Bonds4

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

tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate (PubChem CID 57287646) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate
PubChem CID57287646
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nametert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1ccc2ncccc2n1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)18-11-4-6-12-8-9-13-14(19-12)7-5-10-17-13/h5,7-10H,4,6,11H2,1-3H3,(H,18,20)
InChIKeyFZXVAMIILZRFAQ-UHFFFAOYSA-N
XLogP3.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(1,5-naphthyridin-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate (CID 57287646) is tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCc1ccc2ncccc2n1.
What is the InChIKey of tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate?
The InChIKey is FZXVAMIILZRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)18-11-4-6-12-8-9-13-14(19-12)7-5-10-17-13/h5,7-10H,4,6,11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate?
tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1,5-naphthyridin-2-yl)propyl]carbamate is sourced from PubChem (CID 57287646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).