N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide

C13H16N6O2 — CID 115991433

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H16N6O2/c1-8-10(7-19(2)17-8)6-16-13(20)11-4-3-9(5-15-11)12(14)18-21/h3-5,7,21H,6H2,1-2H3,(H2,14,18)(H,16,20)
InChIKeyMISQTPXOVAPCJO-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.15
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide (PubChem CID 115991433) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
PubChem CID115991433
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C13H16N6O2/c1-8-10(7-19(2)17-8)6-16-13(20)11-4-3-9(5-15-11)12(14)18-21/h3-5,7,21H,6H2,1-2H3,(H2,14,18)(H,16,20)
InChIKeyMISQTPXOVAPCJO-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
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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Related Compounds

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112668767
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
N-(3-ethyl-1-methylpyrazol-4-yl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107464370
5-(N'-hydroxycarbamimidoyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 77005260
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671950
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55229447
5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 106035328
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113466852
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 115991703
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 113358295

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide (CID 115991433) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
The InChIKey is MISQTPXOVAPCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-8-10(7-19(2)17-8)6-16-13(20)11-4-3-9(5-15-11)12(14)18-21/h3-5,7,21H,6H2,1-2H3,(H2,14,18)(H,16,20).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide is sourced from PubChem (CID 115991433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).