3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide

C14H22N4O — CID 136914268

IUPAC3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCC(C)(C)C1CCN(c2cccnc2/C(N)=N/O)C1
InChIInChI=1S/C14H22N4O/c1-14(2,3)10-6-8-18(9-10)11-5-4-7-16-12(11)13(15)17-19/h4-5,7,10,19H,6,8-9H2,1-3H3,(H2,15,17)
InChIKeyADQSDMXRLZMPEI-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.05
Rot. Bonds2

About 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide

3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136914268) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136914268
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCC(C)(C)C1CCN(c2cccnc2/C(N)=N/O)C1
InChIInChI=1S/C14H22N4O/c1-14(2,3)10-6-8-18(9-10)11-5-4-7-16-12(11)13(15)17-19/h4-5,7,10,19H,6,8-9H2,1-3H3,(H2,15,17)
InChIKeyADQSDMXRLZMPEI-UHFFFAOYSA-N
XLogP2.05
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136914268) is 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide is CC(C)(C)C1CCN(c2cccnc2/C(N)=N/O)C1.
What is the InChIKey of 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is ADQSDMXRLZMPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)10-6-8-18(9-10)11-5-4-7-16-12(11)13(15)17-19/h4-5,7,10,19H,6,8-9H2,1-3H3,(H2,15,17).
What are the key properties of 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide?
3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136914268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).