4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide

C13H21N5 — CID 79314423

IUPAC4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)CC2CCCN2C)ccn1
InChIInChI=1S/C13H21N5/c1-17-7-3-4-11(17)9-18(2)10-5-6-16-12(8-10)13(14)15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,14,15)
InChIKeyRCIFZUZZGBLEMS-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.90
Rot. Bonds4

About 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide

4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide (PubChem CID 79314423) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
PubChem CID79314423
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)CC2CCCN2C)ccn1
InChIInChI=1S/C13H21N5/c1-17-7-3-4-11(17)9-18(2)10-5-6-16-12(8-10)13(14)15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,14,15)
InChIKeyRCIFZUZZGBLEMS-UHFFFAOYSA-N
XLogP0.90
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
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-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
CID 79313788
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56896146
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
4-[cyclohexyl(ethyl)amino]pyridine-2-carboximidamide
CID 62926833
4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
CID 128981639
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-2-carboximidamide
CID 62924758
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79303386
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide?
The IUPAC name of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide (CID 79314423) is 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide?
The canonical SMILES for 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N(C)CC2CCCN2C)ccn1.
What is the InChIKey of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide?
The InChIKey is RCIFZUZZGBLEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-17-7-3-4-11(17)9-18(2)10-5-6-16-12(8-10)13(14)15/h5-6,8,11H,3-4,7,9H2,1-2H3,(H3,14,15).
What are the key properties of 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide?
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide is sourced from PubChem (CID 79314423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).