amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium

C16H23FN5O2Pd- — CID 177336792

IUPACamino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium
SMILESCc1cc2c(c(/C(N)=N/[N-]N)c1F)N(CCOCC1CC1)CCO2.[Pd]
InChIInChI=1S/C16H23FN5O2.Pd/c1-10-8-12-15(13(14(10)17)16(18)20-21-19)22(5-7-24-12)4-6-23-9-11-2-3-11;/h8,11H,2-7,9,19H2,1H3,(H2,18,20);/q-1;
InChIKeySNUNMNLGRPZNKJ-UHFFFAOYSA-N
MW442.81 g/mol
LogP1.62
Rot. Bonds7

About amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium

amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium (PubChem CID 177336792) has the molecular formula C16H23FN5O2Pd- and a molecular weight of 442.81 g/mol. Its IUPAC name is amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium.

Molecular Properties

Compound Nameamino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium
PubChem CID177336792
Molecular FormulaC16H23FN5O2Pd-
Molecular Weight442.81 g/mol
Exact Mass442.09
IUPAC Nameamino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium
SMILESCc1cc2c(c(/C(N)=N/[N-]N)c1F)N(CCOCC1CC1)CCO2.[Pd]
InChIInChI=1S/C16H23FN5O2.Pd/c1-10-8-12-15(13(14(10)17)16(18)20-21-19)22(5-7-24-12)4-6-23-9-11-2-3-11;/h8,11H,2-7,9,19H2,1H3,(H2,18,20);/q-1;
InChIKeySNUNMNLGRPZNKJ-UHFFFAOYSA-N
XLogP1.62
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.81
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium with MolForge

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Launch Full Analysis

Related Compounds

4-(1-bicyclo[1.1.1]pentanylmethyl)-7-chloro-6-fluoro-N'-hydrazinyl-2,3-dihydro-1,4-benzoxazine-5-carboximidamide
CID 177336824
N'-[amino(methoxymethyl)amino]-7-chloro-4-[(2,4-difluorophenyl)methyl]-6-fluoro-2,3-dihydro-1,4-benzoxazine-5-carboximidamide
CID 177336801
4-(2-ethoxyethyl)-5-ethyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495277
(7-chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-5-yl)methanol
CID 177336822
2-bromo-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535992
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013624
5-bromo-4-(2-methoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379749
3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-2-fluorobenzenecarboximidamide
CID 107117984
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111869512
2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883323
N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46493024
5-methyl-4-(2-phenoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495056

Frequently Asked Questions

What is the IUPAC name of amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium?
The IUPAC name of amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium (CID 177336792) is amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium.
What is the SMILES notation for amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium?
The canonical SMILES for amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium is Cc1cc2c(c(/C(N)=N/[N-]N)c1F)N(CCOCC1CC1)CCO2.[Pd].
What is the InChIKey of amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium?
The InChIKey is SNUNMNLGRPZNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN5O2.Pd/c1-10-8-12-15(13(14(10)17)16(18)20-21-19)22(5-7-24-12)4-6-23-9-11-2-3-11;/h8,11H,2-7,9,19H2,1H3,(H2,18,20);/q-1;.
What are the key properties of amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium?
amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium has a molecular weight of 442.81 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(Z)-[amino-[4-[2-(cyclopropylmethoxy)ethyl]-6-fluoro-7-methyl-2,3-dihydro-1,4-benzoxazin-5-yl]methylidene]amino]azanide;palladium is sourced from PubChem (CID 177336792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).