tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate

C26H32N4O5 — CID 139373686

IUPACtert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)35-25(32)28-17-12-30(13-17)15-21-22(33-5)9-16(10-23(21)34-6)20-14-29(4)24(31)19-11-27-8-7-18(19)20/h7-11,14,17H,12-13,15H2,1-6H3,(H,28,32)
InChIKeyHZYZQDLERWTLLM-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.33
Rot. Bonds6

About tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate

tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate (PubChem CID 139373686) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate
PubChem CID139373686
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Nametert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)35-25(32)28-17-12-30(13-17)15-21-22(33-5)9-16(10-23(21)34-6)20-14-29(4)24(31)19-11-27-8-7-18(19)20/h7-11,14,17H,12-13,15H2,1-6H3,(H,28,32)
InChIKeyHZYZQDLERWTLLM-UHFFFAOYSA-N
XLogP3.33
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[(4-iodopiperazin-1-yl)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 167116914
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442
4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-[3,5-dimethoxy-4-[[2-(methylaminomethyl)azetidin-1-yl]methyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 155026850
4-[3,5-dimethoxy-4-(2-piperazin-1-ylethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 168729664
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139373794
methyl 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]bicyclo[1.1.0]butane-1-carboxylate
CID 154672012
4-[3-chloro-4-[(3-fluoro-4-methyl-3-phosphanylpiperidin-1-yl)methyl]-5-methoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 169241818
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672366
3-amino-1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide
CID 154672148
1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-N-methyl-N-[8-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]octyl]azetidine-3-carboxamide
CID 154672694

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate (CID 139373686) is tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate?
The InChIKey is HZYZQDLERWTLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-26(2,3)35-25(32)28-17-12-30(13-17)15-21-22(33-5)9-16(10-23(21)34-6)20-14-29(4)24(31)19-11-27-8-7-18(19)20/h7-11,14,17H,12-13,15H2,1-6H3,(H,28,32).
What are the key properties of tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate?
tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate has a molecular weight of 480.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 139373686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).