tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate

C14H21N3O2 — CID 117274629

IUPACtert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate
SMILESCc1nc2c(cc1NC(=O)OC(C)(C)C)CNCC2
InChIInChI=1S/C14H21N3O2/c1-9-12(17-13(18)19-14(2,3)4)7-10-8-15-6-5-11(10)16-9/h7,15H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyRPCYKLWUIODEPO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds1

About tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate

tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate (PubChem CID 117274629) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate
PubChem CID117274629
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate
SMILESCc1nc2c(cc1NC(=O)OC(C)(C)C)CNCC2
InChIInChI=1S/C14H21N3O2/c1-9-12(17-13(18)19-14(2,3)4)7-10-8-15-6-5-11(10)16-9/h7,15H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyRPCYKLWUIODEPO-UHFFFAOYSA-N
XLogP2.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-chloro-2,3-dihydro-1H-indol-6-yl)carbamate
CID 117110659
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096
tert-butyl N-(6-bromo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CID 125450008
tert-butyl N-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)carbamate
CID 83825841
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-[6-bromo-2-methyl-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169136684
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 66864088
tert-butyl N-(1-ethyl-7-methyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamate
CID 123217499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate (CID 117274629) is tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate is Cc1nc2c(cc1NC(=O)OC(C)(C)C)CNCC2.
What is the InChIKey of tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate?
The InChIKey is RPCYKLWUIODEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-12(17-13(18)19-14(2,3)4)7-10-8-15-6-5-11(10)16-9/h7,15H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate?
tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)carbamate is sourced from PubChem (CID 117274629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).