ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate

C9H13N5O2 — CID 144599211

IUPACethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
SMILES[H]/N=C(\OCC)c1cnc(NC(N)=O)cc1N
InChIInChI=1S/C9H13N5O2/c1-2-16-8(11)5-4-13-7(3-6(5)10)14-9(12)15/h3-4,11H,2H2,1H3,(H5,10,12,13,14,15)/b11-8-
InChIKeyKDAVDROTYJCCCD-FLIBITNWSA-N
MW223.24 g/mol
LogP0.52
Rot. Bonds3

About ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate

ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate (PubChem CID 144599211) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate.

Molecular Properties

Compound Nameethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
PubChem CID144599211
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Nameethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
SMILES[H]/N=C(\OCC)c1cnc(NC(N)=O)cc1N
InChIInChI=1S/C9H13N5O2/c1-2-16-8(11)5-4-13-7(3-6(5)10)14-9(12)15/h3-4,11H,2H2,1H3,(H5,10,12,13,14,15)/b11-8-
InChIKeyKDAVDROTYJCCCD-FLIBITNWSA-N
XLogP0.52
TPSA127.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate
CID 144599200
[4-amino-5-(4-fluorobenzenecarboximidoyl)-2-pyridinyl]urea
CID 134388543
methyl 4-amino-6-[(3,4-dichlorophenyl)methylcarbamoylamino]pyridine-3-carboximidate
CID 123643244
2-methoxyethyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123531420
methyl 4-amino-6-[1-(4-chloro-3-methylphenyl)ethylcarbamoylamino]pyridine-3-carboximidate
CID 123473234
methyl 4-amino-6-[(2-hydroxy-1-phenylpropyl)carbamoylamino]pyridine-3-carboximidate
CID 123695637
2-methoxyethyl 4-amino-6-[[(S)-(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]pyridine-3-carboximidate
CID 118373965
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
methyl 4-amino-6-(3,4-dihydro-2H-chromen-3-ylcarbamoylamino)pyridine-3-carboximidate;molecular hydrogen
CID 144599263
N-(4-amino-5-methyl-2-pyridinyl)acetamide
CID 66747868
4-amino-6-(methylamino)pyridine-3-carboxylic acid
CID 83635634

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
The IUPAC name of ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate (CID 144599211) is ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate.
What is the SMILES notation for ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
The canonical SMILES for ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate is [H]/N=C(\OCC)c1cnc(NC(N)=O)cc1N.
What is the InChIKey of ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
The InChIKey is KDAVDROTYJCCCD-FLIBITNWSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-2-16-8(11)5-4-13-7(3-6(5)10)14-9(12)15/h3-4,11H,2H2,1H3,(H5,10,12,13,14,15)/b11-8-.
What are the key properties of ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate?
ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate has a molecular weight of 223.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-(carbamoylamino)pyridine-3-carboximidate is sourced from PubChem (CID 144599211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).