3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide

C14H16N4 — CID 62971035

IUPAC3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2ncccc2C)c1
InChIInChI=1S/C14H16N4/c1-10-5-4-8-17-14(10)18(2)12-7-3-6-11(9-12)13(15)16/h3-9H,1-2H3,(H3,15,16)
InChIKeyIHBAOENSODDSSN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.44
Rot. Bonds3

About 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide

3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide (PubChem CID 62971035) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
PubChem CID62971035
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2ncccc2C)c1
InChIInChI=1S/C14H16N4/c1-10-5-4-8-17-14(10)18(2)12-7-3-6-11(9-12)13(15)16/h3-9H,1-2H3,(H3,15,16)
InChIKeyIHBAOENSODDSSN-UHFFFAOYSA-N
XLogP2.44
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.44
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

3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
CID 62971559
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide
CID 62971388
3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide
CID 112650495
3-[(5-bromo-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 55137507
4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide
CID 62969464
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
3-[(6-ethylpyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 62970344
3-[(3-chloro-2-pyridinyl)-methylamino]benzenecarbothioamide
CID 55141186
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[[(3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]benzenecarboximidamide
CID 106875399
2-(3-methyl-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
CID 153286644
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide?
The IUPAC name of 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide (CID 62971035) is 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)c2ncccc2C)c1.
What is the InChIKey of 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide?
The InChIKey is IHBAOENSODDSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-5-4-8-17-14(10)18(2)12-7-3-6-11(9-12)13(15)16/h3-9H,1-2H3,(H3,15,16).
What are the key properties of 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide?
3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62971035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).