2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate

C10H15N5O3 — CID 144599200

IUPAC2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
SMILES[H]/N=C(\OCCOC)c1cnc(NC(N)=O)cc1N
InChIInChI=1S/C10H15N5O3/c1-17-2-3-18-9(12)6-5-14-8(4-7(6)11)15-10(13)16/h4-5,12H,2-3H2,1H3,(H5,11,13,14,15,16)/b12-9-
InChIKeySVKHGMLPYCGIBI-XFXZXTDPSA-N
MW253.26 g/mol
LogP0.14
Rot. Bonds5

About 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate

2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate (PubChem CID 144599200) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate.

Molecular Properties

Compound Name2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
PubChem CID144599200
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
SMILES[H]/N=C(\OCCOC)c1cnc(NC(N)=O)cc1N
InChIInChI=1S/C10H15N5O3/c1-17-2-3-18-9(12)6-5-14-8(4-7(6)11)15-10(13)16/h4-5,12H,2-3H2,1H3,(H5,11,13,14,15,16)/b12-9-
InChIKeySVKHGMLPYCGIBI-XFXZXTDPSA-N
XLogP0.14
TPSA136.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
CID 144599211
2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123531420
2-methoxyethyl 4-amino-6-[[(S)-(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]pyridine-3-carboximidate
CID 118373965
methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
CID 123643244
[[2-amino-5-[C-(2-methoxyethoxy)carbonimidoyl]-4-pyridinyl]amino]thallium
CID 163443735
[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea
CID 134388543
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
methyl 4-amino-6-[1-(4-chloro-3-methylphenyl)ethylcarbamoylamino]pyridine-3-carboximidate
CID 123473234
(2-methyloxan-4-yl) 4-amino-6-[[(1R)-3-methoxy-1-phenylpropyl]carbamoylamino]pyridine-3-carboximidate;molecular hydrogen
CID 144599441
methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen
CID 144599263
acetylene;1-(4-amino-5-carbamimidoyl-2-pyridinyl)-3-(2-methylsulfanylethyl)urea;benzene;ethane
CID 144598779
1-(4-amino-5-carbamimidoyl-2-pyridinyl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 135293249

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
The IUPAC name of 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate (CID 144599200) is 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate.
What is the SMILES notation for 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
The canonical SMILES for 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate is [H]/N=C(\OCCOC)c1cnc(NC(N)=O)cc1N.
What is the InChIKey of 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
The InChIKey is SVKHGMLPYCGIBI-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-17-2-3-18-9(12)6-5-14-8(4-7(6)11)15-10(13)16/h4-5,12H,2-3H2,1H3,(H5,11,13,14,15,16)/b12-9-.
What are the key properties of 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate has a molecular weight of 253.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate is sourced from PubChem (CID 144599200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).