4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide

C13H20N4O — CID 62925971

IUPAC4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC2CCCO)ccn1
InChIInChI=1S/C13H20N4O/c14-13(15)12-9-11(5-6-16-12)17-7-1-3-10(17)4-2-8-18/h5-6,9-10,18H,1-4,7-8H2,(H3,14,15)
InChIKeyIKNXYTXHCGFJLE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds5

About 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide (PubChem CID 62925971) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
PubChem CID62925971
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCCC2CCCO)ccn1
InChIInChI=1S/C13H20N4O/c14-13(15)12-9-11(5-6-16-12)17-7-1-3-10(17)4-2-8-18/h5-6,9-10,18H,1-4,7-8H2,(H3,14,15)
InChIKeyIKNXYTXHCGFJLE-UHFFFAOYSA-N
XLogP1.11
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 55075927
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
CID 102781467
3,5-difluoro-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 81293355
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81302532
4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 62924914
2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
CID 62925861
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
The IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide (CID 62925971) is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCCC2CCCO)ccn1.
What is the InChIKey of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
The InChIKey is IKNXYTXHCGFJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(15)12-9-11(5-6-16-12)17-7-1-3-10(17)4-2-8-18/h5-6,9-10,18H,1-4,7-8H2,(H3,14,15).
What are the key properties of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide?
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 62925971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).