tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate

C22H29N3O2 — CID 20825962

IUPACtert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1nccc2c1CCN(Cc1ccccc1)C2)C(=O)OC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-22(2,3)27-21(26)24(4)16-20-19-11-13-25(15-18(19)10-12-23-20)14-17-8-6-5-7-9-17/h5-10,12H,11,13-16H2,1-4H3
InChIKeyLTFNDBBCTXNHJE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.01
Rot. Bonds4

About tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate

tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate (PubChem CID 20825962) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate
PubChem CID20825962
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Nametert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate
SMILESCN(Cc1nccc2c1CCN(Cc1ccccc1)C2)C(=O)OC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-22(2,3)27-21(26)24(4)16-20-19-11-13-25(15-18(19)10-12-23-20)14-17-8-6-5-7-9-17/h5-10,12H,11,13-16H2,1-4H3
InChIKeyLTFNDBBCTXNHJE-UHFFFAOYSA-N
XLogP4.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate with MolForge

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Related Compounds

CID 13575819
CID 13575819
CID 12884174
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CID 524022
CID 524022
CID 16187260
CID 16187260
CID 695027
CID 695027
CID 54580880
CID 54580880
CID 24892821
CID 24892821
CID 44403552
CID 44403552
CID 56682377
CID 56682377
CID 42602913
CID 42602913
CID 653131
CID 653131
CID 76336702
CID 76336702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate (CID 20825962) is tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate is CN(Cc1nccc2c1CCN(Cc1ccccc1)C2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate?
The InChIKey is LTFNDBBCTXNHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)27-21(26)24(4)16-20-19-11-13-25(15-18(19)10-12-23-20)14-17-8-6-5-7-9-17/h5-10,12H,11,13-16H2,1-4H3.
What are the key properties of tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate?
tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate has a molecular weight of 367.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-benzyl-7,8-dihydro-5H-2,6-naphthyridin-1-yl)methyl]-N-methylcarbamate is sourced from PubChem (CID 20825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).