tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate

C16H25N3O2 — CID 175178834

IUPACtert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2cnccc2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-12(18-15(20)21-16(2,3)4)10-19-8-6-13-9-17-7-5-14(13)11-19/h5,7,9,12H,6,8,10-11H2,1-4H3,(H,18,20)
InChIKeyDOTTXJPSOFZLCH-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate

tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate (PubChem CID 175178834) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
PubChem CID175178834
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
SMILESCC(CN1CCc2cnccc2C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-12(18-15(20)21-16(2,3)4)10-19-8-6-13-9-17-7-5-14(13)11-19/h5,7,9,12H,6,8,10-11H2,1-4H3,(H,18,20)
InChIKeyDOTTXJPSOFZLCH-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate (CID 175178834) is tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate is CC(CN1CCc2cnccc2C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate?
The InChIKey is DOTTXJPSOFZLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(18-15(20)21-16(2,3)4)10-19-8-6-13-9-17-7-5-14(13)11-19/h5,7,9,12H,6,8,10-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 175178834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).