3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide

C16H20N4 — CID 79267977

IUPAC3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cccc(C)n1)c1ccccc1
InChIInChI=1S/C16H20N4/c1-13-6-5-7-14(19-13)12-20(11-10-16(17)18)15-8-3-2-4-9-15/h2-9H,10-12H2,1H3,(H3,17,18)
InChIKeyQFKMMVVNQROIOG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.72
Rot. Bonds6

About 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide

3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide (PubChem CID 79267977) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide.

Molecular Properties

Compound Name3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
PubChem CID79267977
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
SMILES[H]/N=C(\N)CCN(Cc1cccc(C)n1)c1ccccc1
InChIInChI=1S/C16H20N4/c1-13-6-5-7-14(19-13)12-20(11-10-16(17)18)15-8-3-2-4-9-15/h2-9H,10-12H2,1H3,(H3,17,18)
InChIKeyQFKMMVVNQROIOG-UHFFFAOYSA-N
XLogP2.72
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.72
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'}

Analyze 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[N-[(3-chloro-2-fluorophenyl)methyl]anilino]propanimidamide
CID 102856088
4-(N-ethylanilino)butanimidamide
CID 24691564
3-[N-(3-methylsulfonylpropyl)anilino]propanimidamide
CID 63191645
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
3-[N-[2-(2-methylpyrazol-3-yl)ethyl]anilino]propanimidamide
CID 103003027
3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 83036577
3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 63286083
3-[N-(pyridin-2-ylmethyl)anilino]propanethioamide
CID 24711207
3-(N-quinolin-2-ylanilino)propanimidamide
CID 24701549
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide?
The IUPAC name of 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide (CID 79267977) is 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide.
What is the SMILES notation for 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide?
The canonical SMILES for 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide is [H]/N=C(\N)CCN(Cc1cccc(C)n1)c1ccccc1.
What is the InChIKey of 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide?
The InChIKey is QFKMMVVNQROIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-6-5-7-14(19-13)12-20(11-10-16(17)18)15-8-3-2-4-9-15/h2-9H,10-12H2,1H3,(H3,17,18).
What are the key properties of 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide?
3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide has a molecular weight of 268.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide is sourced from PubChem (CID 79267977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).