4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide

C16H19FN4 — CID 81036488

IUPAC4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)Cc2ccc(F)cc2)cc(C)nc1C
InChIInChI=1S/C16H19FN4/c1-10-8-14(15(16(18)19)11(2)20-10)21(3)9-12-4-6-13(17)7-5-12/h4-8H,9H2,1-3H3,(H3,18,19)
InChIKeyCKFJRXQONKKCQP-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.76
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide

4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81036488) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81036488
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)Cc2ccc(F)cc2)cc(C)nc1C
InChIInChI=1S/C16H19FN4/c1-10-8-14(15(16(18)19)11(2)20-10)21(3)9-12-4-6-13(17)7-5-12/h4-8H,9H2,1-3H3,(H3,18,19)
InChIKeyCKFJRXQONKKCQP-UHFFFAOYSA-N
XLogP2.76
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.76
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

2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
CID 81038338
2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide
CID 81054743
2,6-dimethyl-4-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 81054323
2,6-dimethyl-4-[methyl(2-methylbutyl)amino]pyridine-3-carboximidamide
CID 81054324
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81055757
4-[(4-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060299
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 105415016
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
CID 62684888

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide (CID 81036488) is 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)Cc2ccc(F)cc2)cc(C)nc1C.
What is the InChIKey of 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is CKFJRXQONKKCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-10-8-14(15(16(18)19)11(2)20-10)21(3)9-12-4-6-13(17)7-5-12/h4-8H,9H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 286.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81036488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).