N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

C11H16N4O2 — CID 76951882

IUPACN-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C11H16N4O2/c1-3-7(2)14-11(16)9-5-4-8(6-13-9)10(12)15-17/h4-7,17H,3H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyOYHPDHMRNSLQOW-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.70
Rot. Bonds4

About N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (PubChem CID 76951882) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
PubChem CID76951882
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C11H16N4O2/c1-3-7(2)14-11(16)9-5-4-8(6-13-9)10(12)15-17/h4-7,17H,3H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyOYHPDHMRNSLQOW-UHFFFAOYSA-N
XLogP0.70
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.70
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-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55229065
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472987
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
CID 55231173
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
N-(dicyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005031
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
5-(N'-hydroxycarbamimidoyl)-N-(3-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 76951835
N-ethyl-5-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79470697
5-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 77005365

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (CID 76951882) is N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is CCC(C)NC(=O)c1ccc(C(N)=NO)cn1.
What is the InChIKey of N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is OYHPDHMRNSLQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-7(2)14-11(16)9-5-4-8(6-13-9)10(12)15-17/h4-7,17H,3H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 76951882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).