2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide

C13H21N5O2 — CID 77111725

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(C)CC1CC(O)CN1c1ncccc1C(N)=NO
InChIInChI=1S/C13H21N5O2/c1-17(2)7-9-6-10(19)8-18(9)13-11(12(14)16-20)4-3-5-15-13/h3-5,9-10,19-20H,6-8H2,1-2H3,(H2,14,16)
InChIKeyFLGDVHADWSMHCT-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.32
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77111725) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
PubChem CID77111725
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(C)CC1CC(O)CN1c1ncccc1C(N)=NO
InChIInChI=1S/C13H21N5O2/c1-17(2)7-9-6-10(19)8-18(9)13-11(12(14)16-20)4-3-5-15-13/h3-5,9-10,19-20H,6-8H2,1-2H3,(H2,14,16)
InChIKeyFLGDVHADWSMHCT-UHFFFAOYSA-N
XLogP-0.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide (CID 77111725) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide is CN(C)CC1CC(O)CN1c1ncccc1C(N)=NO.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is FLGDVHADWSMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17(2)7-9-6-10(19)8-18(9)13-11(12(14)16-20)4-3-5-15-13/h3-5,9-10,19-20H,6-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77111725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).