4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide

C12H18N4 — CID 79188815

IUPAC4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CC(C)C(C)C2)ccn1
InChIInChI=1S/C12H18N4/c1-8-6-16(7-9(8)2)10-3-4-15-11(5-10)12(13)14/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14)
InChIKeyKJOWDNTYTZHBBI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.46
Rot. Bonds2

About 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide

4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide (PubChem CID 79188815) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
PubChem CID79188815
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CC(C)C(C)C2)ccn1
InChIInChI=1S/C12H18N4/c1-8-6-16(7-9(8)2)10-3-4-15-11(5-10)12(13)14/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14)
InChIKeyKJOWDNTYTZHBBI-UHFFFAOYSA-N
XLogP1.46
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(2-Pyrrolidinoethyl)pyridine
CID 238317
2-(Diethylaminomethyl)-pyridine
CID 253822
2-Pyridinecarboximidic acid, hydrazide
CID 5464234
alpha-Nicotine
CID 212128
2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CID 44455952
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyridine
CID 44455953
2,5-Bis(pyrrolidin-1-ylmethyl)pyridine
CID 127044984
1-(Pyridin-2-ylmethyl)guanidine
CID 13371454
Picolinimidamide
CID 556504
N,N-Dimethyl-N'-pyridin-2-ylmethyl-ethane-1,2-diamine
CID 3154224
Pyridine-2-carboximidamide hydrochloride
CID 12403615
4-((E)-{[(E)-amino(imino)methyl]hydrazono}methyl)pyridine-2-carboximidamide
CID 10465543

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide (CID 79188815) is 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CC(C)C(C)C2)ccn1.
What is the InChIKey of 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is KJOWDNTYTZHBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-6-16(7-9(8)2)10-3-4-15-11(5-10)12(13)14/h3-5,8-9H,6-7H2,1-2H3,(H3,13,14).
What are the key properties of 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide?
4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide has a molecular weight of 218.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 79188815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).