N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide

C13H16N6O2 — CID 107464370

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H16N6O2/c1-3-9-11(7-19(2)17-9)16-13(20)10-5-4-8(6-15-10)12(14)18-21/h4-7,21H,3H2,1-2H3,(H2,14,18)(H,16,20)
InChIKeyBGNQWQDKJPOEAD-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.72
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide

N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide (PubChem CID 107464370) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
PubChem CID107464370
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H16N6O2/c1-3-9-11(7-19(2)17-9)16-13(20)10-5-4-8(6-15-10)12(14)18-21/h4-7,21H,3H2,1-2H3,(H2,14,18)(H,16,20)
InChIKeyBGNQWQDKJPOEAD-UHFFFAOYSA-N
XLogP0.72
TPSA118.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide (CID 107464370) is N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide is CCc1nn(C)cc1NC(=O)c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The InChIKey is BGNQWQDKJPOEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-3-9-11(7-19(2)17-9)16-13(20)10-5-4-8(6-15-10)12(14)18-21/h4-7,21H,3H2,1-2H3,(H2,14,18)(H,16,20).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide is sourced from PubChem (CID 107464370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).