tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate

C20H26N4O5 — CID 171673664

IUPACtert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cnc3c(c1)NC(=O)CO3)C2
InChIInChI=1S/C20H26N4O5/c1-19(2,3)29-18(27)23-13-7-20(8-13)5-12(6-20)22-16(26)11-4-14-17(21-9-11)28-10-15(25)24-14/h4,9,12-13H,5-8,10H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyPILFDEQPLFDKCJ-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate

tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate (PubChem CID 171673664) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate
PubChem CID171673664
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Nametert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cnc3c(c1)NC(=O)CO3)C2
InChIInChI=1S/C20H26N4O5/c1-19(2,3)29-18(27)23-13-7-20(8-13)5-12(6-20)22-16(26)11-4-14-17(21-9-11)28-10-15(25)24-14/h4,9,12-13H,5-8,10H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyPILFDEQPLFDKCJ-UHFFFAOYSA-N
XLogP1.98
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519848
tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate
CID 75451047
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 154759117
N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 166255636
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-[2-[2-hydroxy-3-(3-oxo-4H-pyrazino[2,3-b][1,4]oxazin-6-yl)-2H-1,3-oxazol-5-yl]ethyl]carbamate
CID 166766667
N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 115881758
tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate
CID 166834794

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate (CID 171673664) is tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate is CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cnc3c(c1)NC(=O)CO3)C2.
What is the InChIKey of tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate?
The InChIKey is PILFDEQPLFDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-19(2,3)29-18(27)23-13-7-20(8-13)5-12(6-20)22-16(26)11-4-14-17(21-9-11)28-10-15(25)24-14/h4,9,12-13H,5-8,10H2,1-3H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate?
tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate has a molecular weight of 402.45 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate is sourced from PubChem (CID 171673664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).