6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide

C14H21N5O2 — CID 81465067

IUPAC6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CN(C(=O)c2ccc(/C(N)=N/O)cn2)CC1N(C)C
InChIInChI=1S/C14H21N5O2/c1-9-7-19(8-12(9)18(2)3)14(20)11-5-4-10(6-16-11)13(15)17-21/h4-6,9,12,21H,7-8H2,1-3H3,(H2,15,17)
InChIKeyQLGNLJUKFUQZDI-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.20
Rot. Bonds3

About 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide

6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 81465067) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
PubChem CID81465067
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CN(C(=O)c2ccc(/C(N)=N/O)cn2)CC1N(C)C
InChIInChI=1S/C14H21N5O2/c1-9-7-19(8-12(9)18(2)3)14(20)11-5-4-10(6-16-11)13(15)17-21/h4-6,9,12,21H,7-8H2,1-3H3,(H2,15,17)
InChIKeyQLGNLJUKFUQZDI-UHFFFAOYSA-N
XLogP0.20
TPSA95.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide (CID 81465067) is 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide is CC1CN(C(=O)c2ccc(/C(N)=N/O)cn2)CC1N(C)C.
What is the InChIKey of 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is QLGNLJUKFUQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-7-19(8-12(9)18(2)3)14(20)11-5-4-10(6-16-11)13(15)17-21/h4-6,9,12,21H,7-8H2,1-3H3,(H2,15,17).
What are the key properties of 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide?
6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 291.36 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 81465067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).