1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide

C17H24N4O3 — CID 10268491

IUPAC1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide
SMILESCCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)NNc1ccccn1
InChIInChI=1S/C17H24N4O3/c1-4-17(2,3)14(22)16(24)21-11-7-8-12(21)15(23)20-19-13-9-5-6-10-18-13/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,18,19)(H,20,23)
InChIKeyFMIMWPFNCWOQPN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.52
Rot. Bonds6

About 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide

1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide (PubChem CID 10268491) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide
PubChem CID10268491
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide
SMILESCCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)NNc1ccccn1
InChIInChI=1S/C17H24N4O3/c1-4-17(2,3)14(22)16(24)21-11-7-8-12(21)15(23)20-19-13-9-5-6-10-18-13/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,18,19)(H,20,23)
InChIKeyFMIMWPFNCWOQPN-UHFFFAOYSA-N
XLogP1.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide (CID 10268491) is 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide is CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)NNc1ccccn1.
What is the InChIKey of 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide?
The InChIKey is FMIMWPFNCWOQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-17(2,3)14(22)16(24)21-11-7-8-12(21)15(23)20-19-13-9-5-6-10-18-13/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,18,19)(H,20,23).
What are the key properties of 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide?
1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide has a molecular weight of 332.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-oxopentanoyl)-N'-pyridin-2-ylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 10268491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).