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

C13H16N6O2 — CID 77005131

IUPAC5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C13H16N6O2/c1-18(7-9-5-16-19(2)8-9)13(20)11-4-3-10(6-15-11)12(14)17-21/h3-6,8,21H,7H2,1-2H3,(H2,14,17)
InChIKeyITLRYAVOHQTTDB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.18
Rot. Bonds4

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

5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 77005131) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID77005131
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C13H16N6O2/c1-18(7-9-5-16-19(2)8-9)13(20)11-4-3-10(6-15-11)12(14)17-21/h3-6,8,21H,7H2,1-2H3,(H2,14,17)
InChIKeyITLRYAVOHQTTDB-UHFFFAOYSA-N
XLogP0.18
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
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'}

Analyze 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 104640906
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 77005170
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 77073182
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
3-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905632
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176856
N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
CID 103002972
N-cycloheptyl-5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005127
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62789282
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 77005098

Frequently Asked Questions

What is the IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide (CID 77005131) is 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(C(N)=NO)cn1.
What is the InChIKey of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ITLRYAVOHQTTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-18(7-9-5-16-19(2)8-9)13(20)11-4-3-10(6-15-11)12(14)17-21/h3-6,8,21H,7H2,1-2H3,(H2,14,17).
What are the key properties of 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 77005131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).