tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate

C18H26N4O6 — CID 123460272

IUPACtert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)NCC1Oc2ncc(NC(=O)OC(C)(C)C)cc2NC1=O
InChIInChI=1S/C18H26N4O6/c1-17(2,3)27-15(24)20-9-12-13(23)22-11-7-10(8-19-14(11)26-12)21-16(25)28-18(4,5)6/h7-8,12H,9H2,1-6H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeySMZQRGWPNNEKDJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate

tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate (PubChem CID 123460272) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate
PubChem CID123460272
Molecular FormulaC18H26N4O6
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Nametert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)NCC1Oc2ncc(NC(=O)OC(C)(C)C)cc2NC1=O
InChIInChI=1S/C18H26N4O6/c1-17(2,3)27-15(24)20-9-12-13(23)22-11-7-10(8-19-14(11)26-12)21-16(25)28-18(4,5)6/h7-8,12H,9H2,1-6H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeySMZQRGWPNNEKDJ-UHFFFAOYSA-N
XLogP2.65
TPSA127.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(3S)-1-(3-methylphenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-3-yl]methyl]carbamate
CID 118033514
tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
CID 123540990
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
tert-butyl N-[5-[(4,5-dibromofuran-2-yl)methylamino]-2-pyridinyl]carbamate
CID 107243072
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-(6-acetyl-5-chloro-3-pyridinyl)carbamate
CID 140703879
tert-butyl N-[5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamate
CID 53398510
3-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-7-carboxylic acid
CID 155896659
tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate
CID 135156651
[7-(Tert-butyl-dimethyl-silanyloxymethyl)-5,6,7,8-tetrahydro-[1,5]naphthyridin-3-yl]-carbamic acid tert-butyl ester
CID 90011920
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate (CID 123460272) is tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate is CC(C)(C)OC(=O)NCC1Oc2ncc(NC(=O)OC(C)(C)C)cc2NC1=O.
What is the InChIKey of tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate?
The InChIKey is SMZQRGWPNNEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6/c1-17(2,3)27-15(24)20-9-12-13(23)22-11-7-10(8-19-14(11)26-12)21-16(25)28-18(4,5)6/h7-8,12H,9H2,1-6H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate?
tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate has a molecular weight of 394.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]carbamate is sourced from PubChem (CID 123460272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).