4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide

C16H19N3O — CID 62308690

IUPAC4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OCCCc1ccncc1
InChIInChI=1S/C16H19N3O/c1-12-4-5-14(16(17)18)15(11-12)20-10-2-3-13-6-8-19-9-7-13/h4-9,11H,2-3,10H2,1H3,(H3,17,18)
InChIKeyRTDZKRHRRICLMZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.69
Rot. Bonds6

About 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide

4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide (PubChem CID 62308690) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
PubChem CID62308690
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1OCCCc1ccncc1
InChIInChI=1S/C16H19N3O/c1-12-4-5-14(16(17)18)15(11-12)20-10-2-3-13-6-8-19-9-7-13/h4-9,11H,2-3,10H2,1H3,(H3,17,18)
InChIKeyRTDZKRHRRICLMZ-UHFFFAOYSA-N
XLogP2.69
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
CID 81036309
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 62306797
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
CID 81036918
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide (CID 62308690) is 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1OCCCc1ccncc1.
What is the InChIKey of 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
The InChIKey is RTDZKRHRRICLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-4-5-14(16(17)18)15(11-12)20-10-2-3-13-6-8-19-9-7-13/h4-9,11H,2-3,10H2,1H3,(H3,17,18).
What are the key properties of 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide?
4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide has a molecular weight of 269.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide is sourced from PubChem (CID 62308690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).