2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide

C16H21N5 — CID 81038338

IUPAC2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)Cc2cccc(C)n2)cc(C)nc1C
InChIInChI=1S/C16H21N5/c1-10-6-5-7-13(20-10)9-21(4)14-8-11(2)19-12(3)15(14)16(17)18/h5-8H,9H2,1-4H3,(H3,17,18)
InChIKeyQWXGWAHNVCRUJX-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.32
Rot. Bonds4

About 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide

2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide (PubChem CID 81038338) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
PubChem CID81038338
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)Cc2cccc(C)n2)cc(C)nc1C
InChIInChI=1S/C16H21N5/c1-10-6-5-7-13(20-10)9-21(4)14-8-11(2)19-12(3)15(14)16(17)18/h5-8H,9H2,1-4H3,(H3,17,18)
InChIKeyQWXGWAHNVCRUJX-UHFFFAOYSA-N
XLogP2.32
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.32
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

2,6-dimethyl-4-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboximidamide
CID 81054743
4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81036488
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81055757
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
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 105415016
3-methyl-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]benzenecarboximidamide
CID 114483605
4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81053977
1-[2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]phenyl]propan-1-ol
CID 115996041
4-[butyl(ethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054878
2,6-dimethyl-4-[2-methylpropyl(pentan-3-yl)amino]pyridine-3-carboximidamide
CID 81037767
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide (CID 81038338) is 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)Cc2cccc(C)n2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide?
The InChIKey is QWXGWAHNVCRUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-10-6-5-7-13(20-10)9-21(4)14-8-11(2)19-12(3)15(14)16(17)18/h5-8H,9H2,1-4H3,(H3,17,18).
What are the key properties of 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide?
2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide has a molecular weight of 283.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboximidamide is sourced from PubChem (CID 81038338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).