[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium

C9H9ClN3O2Pd- — CID 156842757

IUPAC[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium
SMILESCN1C(=O)[C@@H]([NH-])COc2cc(Cl)cnc21.[Pd]
InChIInChI=1S/C9H9ClN3O2.Pd/c1-13-8-7(2-5(10)3-12-8)15-4-6(11)9(13)14;/h2-3,6,11H,4H2,1H3;/q-1;/t6-;/m0./s1
InChIKeyWHCYVGOWNIUQBX-RGMNGODLSA-N
MW333.06 g/mol
LogP1.51
Rot. Bonds

About [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium

[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium (PubChem CID 156842757) has the molecular formula C9H9ClN3O2Pd- and a molecular weight of 333.06 g/mol. Its IUPAC name is [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium.

Molecular Properties

Compound Name[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium
PubChem CID156842757
Molecular FormulaC9H9ClN3O2Pd-
Molecular Weight333.06 g/mol
Exact Mass331.94
IUPAC Name[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium
SMILESCN1C(=O)[C@@H]([NH-])COc2cc(Cl)cnc21.[Pd]
InChIInChI=1S/C9H9ClN3O2.Pd/c1-13-8-7(2-5(10)3-12-8)15-4-6(11)9(13)14;/h2-3,6,11H,4H2,1H3;/q-1;/t6-;/m0./s1
InChIKeyWHCYVGOWNIUQBX-RGMNGODLSA-N
XLogP1.51
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-phenylpyrimidine-2-carboxamide
CID 156842619
3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
CID 166773075
5-chloro-N-(8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-(2,5-difluorophenyl)pyrimidine-2-carboxamide
CID 156843082
5-chloro-N-[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-chlorophenyl)pyrimidine-2-carboxamide
CID 156842586
5-chloro-N-(8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-(2,4-difluorophenyl)pyrimidine-2-carboxamide
CID 156843117
5-chloro-N-[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(4-cyanophenyl)pyrimidine-2-carboxamide
CID 156843048
1-benzyl-N-[(3S)-8-chloro-5-methyl-4-sulfanylidene-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,2,4-triazole-3-carboxamide
CID 155357360
5-(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-3-yl)-1,4-dihydropyrazine-2,3-dione
CID 166951785
3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
CID 130298996
7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 57258718
4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine
CID 157066045
(10S)-5-chloro-8-methyl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167172722

Frequently Asked Questions

What is the IUPAC name of [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium?
The IUPAC name of [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium (CID 156842757) is [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium.
What is the SMILES notation for [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium?
The canonical SMILES for [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium is CN1C(=O)[C@@H]([NH-])COc2cc(Cl)cnc21.[Pd].
What is the InChIKey of [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium?
The InChIKey is WHCYVGOWNIUQBX-RGMNGODLSA-N. The full InChI is InChI=1S/C9H9ClN3O2.Pd/c1-13-8-7(2-5(10)3-12-8)15-4-6(11)9(13)14;/h2-3,6,11H,4H2,1H3;/q-1;/t6-;/m0./s1.
What are the key properties of [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium?
[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium has a molecular weight of 333.06 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]azanide;palladium is sourced from PubChem (CID 156842757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).