4-[(dimethylamino)methyl]pyridine-2-carboximidamide

C9H14N4 — CID 63880470

IUPAC4-[(dimethylamino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)C)ccn1
InChIInChI=1S/C9H14N4/c1-13(2)6-7-3-4-12-8(5-7)9(10)11/h3-5H,6H2,1-2H3,(H3,10,11)
InChIKeyDIGZHSZOWUZQAQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.43
Rot. Bonds3

About 4-[(dimethylamino)methyl]pyridine-2-carboximidamide

4-[(dimethylamino)methyl]pyridine-2-carboximidamide (PubChem CID 63880470) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]pyridine-2-carboximidamide
PubChem CID63880470
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-[(dimethylamino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN(C)C)ccn1
InChIInChI=1S/C9H14N4/c1-13(2)6-7-3-4-12-8(5-7)9(10)11/h3-5H,6H2,1-2H3,(H3,10,11)
InChIKeyDIGZHSZOWUZQAQ-UHFFFAOYSA-N
XLogP0.43
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.43
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

4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(dimethylamino)methyl]pyridine-2-carbothioamide
CID 63882857
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 107480262
4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 63882050
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 63880680
4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881662
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881655
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 63882416

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(dimethylamino)methyl]pyridine-2-carboximidamide (CID 63880470) is 4-[(dimethylamino)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(dimethylamino)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN(C)C)ccn1.
What is the InChIKey of 4-[(dimethylamino)methyl]pyridine-2-carboximidamide?
The InChIKey is DIGZHSZOWUZQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-13(2)6-7-3-4-12-8(5-7)9(10)11/h3-5H,6H2,1-2H3,(H3,10,11).
What are the key properties of 4-[(dimethylamino)methyl]pyridine-2-carboximidamide?
4-[(dimethylamino)methyl]pyridine-2-carboximidamide has a molecular weight of 178.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63880470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).