tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate

C20H21N3O3 — CID 164563752

IUPACtert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-20(2,3)26-19(25)22-12-13-4-6-14(7-5-13)15-10-11-21-18-16(15)8-9-17(24)23-18/h4-11H,12H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyVMPWURCUXCNJSK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate (PubChem CID 164563752) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
PubChem CID164563752
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nametert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-20(2,3)26-19(25)22-12-13-4-6-14(7-5-13)15-10-11-21-18-16(15)8-9-17(24)23-18/h4-11H,12H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyVMPWURCUXCNJSK-UHFFFAOYSA-N
XLogP3.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
CID 164563691
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563801
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658
tert-butyl N-[[4-[(Z)-3-hydroxy-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)prop-1-en-2-yl]phenyl]methyl]carbamate
CID 143030901
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[[4-(6-formyl-3-pyridinyl)phenyl]methyl]carbamate
CID 134274886
methanidyl-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]azanium
CID 87107169
tert-butyl N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]carbamate
CID 47057073
tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate (CID 164563752) is tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1.
What is the InChIKey of tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
The InChIKey is VMPWURCUXCNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-20(2,3)26-19(25)22-12-13-4-6-14(7-5-13)15-10-11-21-18-16(15)8-9-17(24)23-18/h4-11H,12H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate has a molecular weight of 351.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 164563752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).