5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide

C8H10N4O2 — CID 77005050

IUPAC5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C8H10N4O2/c1-10-8(13)6-3-2-5(4-11-6)7(9)12-14/h2-4,14H,1H3,(H2,9,12)(H,10,13)
InChIKeyKQIGPNWTVZRSJR-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.46
Rot. Bonds2

About 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide

5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide (PubChem CID 77005050) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
PubChem CID77005050
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C8H10N4O2/c1-10-8(13)6-3-2-5(4-11-6)7(9)12-14/h2-4,14H,1H3,(H2,9,12)(H,10,13)
InChIKeyKQIGPNWTVZRSJR-UHFFFAOYSA-N
XLogP-0.46
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55229065
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005087
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472987
5-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55229447
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005031
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107637319

Frequently Asked Questions

What is the IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide (CID 77005050) is 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(C(N)=NO)cn1.
What is the InChIKey of 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
The InChIKey is KQIGPNWTVZRSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-10-8(13)6-3-2-5(4-11-6)7(9)12-14/h2-4,14H,1H3,(H2,9,12)(H,10,13).
What are the key properties of 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide?
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide has a molecular weight of 194.19 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 77005050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).