(3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

C14H21FN4O — CID 105388586

IUPAC(3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccnc(NN)c2F)C1
InChIInChI=1S/C14H21FN4O/c1-14(2,3)9-5-7-19(8-9)13(20)10-4-6-17-12(18-16)11(10)15/h4,6,9H,5,7-8,16H2,1-3H3,(H,17,18)
InChIKeyIYSAJCVGECRPGV-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.01
Rot. Bonds2

About (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

(3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 105388586) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
PubChem CID105388586
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name(3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccnc(NN)c2F)C1
InChIInChI=1S/C14H21FN4O/c1-14(2,3)9-5-7-19(8-9)13(20)10-4-6-17-12(18-16)11(10)15/h4,6,9H,5,7-8,16H2,1-3H3,(H,17,18)
InChIKeyIYSAJCVGECRPGV-UHFFFAOYSA-N
XLogP2.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (CID 105388586) is (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is CC(C)(C)C1CCN(C(=O)c2ccnc(NN)c2F)C1.
What is the InChIKey of (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is IYSAJCVGECRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-14(2,3)9-5-7-19(8-9)13(20)10-4-6-17-12(18-16)11(10)15/h4,6,9H,5,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
(3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 280.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylpyrrolidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 105388586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).