2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide

C13H15N5O — CID 6879191

IUPAC2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cn2nccc2C)n1
InChIInChI=1S/C13H15N5O/c1-10-4-3-5-12(16-10)8-14-17-13(19)9-18-11(2)6-7-15-18/h3-8H,9H2,1-2H3,(H,17,19)/b14-8+
InChIKeyMKBMZBCDYFKJGN-RIYZIHGNSA-N
MW257.30 g/mol
LogP1.05
Rot. Bonds4

About 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide

2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide (PubChem CID 6879191) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
PubChem CID6879191
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cn2nccc2C)n1
InChIInChI=1S/C13H15N5O/c1-10-4-3-5-12(16-10)8-14-17-13(19)9-18-11(2)6-7-15-18/h3-8H,9H2,1-2H3,(H,17,19)/b14-8+
InChIKeyMKBMZBCDYFKJGN-RIYZIHGNSA-N
XLogP1.05
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide (CID 6879191) is 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide is Cc1cccc(/C=N/NC(=O)Cn2nccc2C)n1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The InChIKey is MKBMZBCDYFKJGN-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H15N5O/c1-10-4-3-5-12(16-10)8-14-17-13(19)9-18-11(2)6-7-15-18/h3-8H,9H2,1-2H3,(H,17,19)/b14-8+.
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide has a molecular weight of 257.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide is sourced from PubChem (CID 6879191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).