5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide

C13H20N4O3 — CID 82960384

IUPAC5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCOCCN(C(=O)c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C13H20N4O3/c1-9(2)17(6-7-20-3)13(18)11-5-4-10(8-15-11)12(14)16-19/h4-5,8-9,19H,6-7H2,1-3H3,(H2,14,16)
InChIKeyLNDTXMOMJDCCNN-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.67
Rot. Bonds6

About 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide

5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 82960384) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID82960384
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCOCCN(C(=O)c1ccc(/C(N)=N/O)cn1)C(C)C
InChIInChI=1S/C13H20N4O3/c1-9(2)17(6-7-20-3)13(18)11-5-4-10(8-15-11)12(14)16-19/h4-5,8-9,19H,6-7H2,1-3H3,(H2,14,16)
InChIKeyLNDTXMOMJDCCNN-UHFFFAOYSA-N
XLogP0.67
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-N'-hydroxycarbamimidoyl]-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 55228873
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
N-ethyl-5-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 76951900
5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 77005423
5-(N'-hydroxycarbamimidoyl)-N-(3-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 76951835
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
N-ethyl-5-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79470697
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708
5-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 77005365
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide (CID 82960384) is 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide is COCCN(C(=O)c1ccc(/C(N)=N/O)cn1)C(C)C.
What is the InChIKey of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is LNDTXMOMJDCCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(2)17(6-7-20-3)13(18)11-5-4-10(8-15-11)12(14)16-19/h4-5,8-9,19H,6-7H2,1-3H3,(H2,14,16).
What are the key properties of 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide?
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 82960384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).