6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide

C14H22N4 — CID 113417646

IUPAC6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CCC(CCC)C1
InChIInChI=1S/C14H22N4/c1-3-4-11-7-8-18(9-11)14-12(13(15)16)6-5-10(2)17-14/h5-6,11H,3-4,7-9H2,1-2H3,(H3,15,16)
InChIKeyCMQSSIHBBDGYFG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.30
Rot. Bonds4

About 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide

6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide (PubChem CID 113417646) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
PubChem CID113417646
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N1CCC(CCC)C1
InChIInChI=1S/C14H22N4/c1-3-4-11-7-8-18(9-11)14-12(13(15)16)6-5-10(2)17-14/h5-6,11H,3-4,7-9H2,1-2H3,(H3,15,16)
InChIKeyCMQSSIHBBDGYFG-UHFFFAOYSA-N
XLogP2.30
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.30
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-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 79188625
4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417643
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 104958903
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 81096579
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methylpyridine-3-carbothioamide
CID 112625513
2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 62201293
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide
CID 82750589
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 114777093
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 64597728
N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 137012933
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide (CID 113417646) is 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1N1CCC(CCC)C1.
What is the InChIKey of 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide?
The InChIKey is CMQSSIHBBDGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-4-11-7-8-18(9-11)14-12(13(15)16)6-5-10(2)17-14/h5-6,11H,3-4,7-9H2,1-2H3,(H3,15,16).
What are the key properties of 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide?
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 113417646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).