3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide

C16H20N4O — CID 62894551

IUPAC3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H20N4O/c1-20(10-12-5-3-7-14(9-12)21-2)11-13-6-4-8-19-15(13)16(17)18/h3-9H,10-11H2,1-2H3,(H3,17,18)
InChIKeyIXJNFVNUQCTFAS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds6

About 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide

3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide (PubChem CID 62894551) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
PubChem CID62894551
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C16H20N4O/c1-20(10-12-5-3-7-14(9-12)21-2)11-13-6-4-8-19-15(13)16(17)18/h3-9H,10-11H2,1-2H3,(H3,17,18)
InChIKeyIXJNFVNUQCTFAS-UHFFFAOYSA-N
XLogP2.01
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
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

3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 81056406
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894387
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 105415064

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide (CID 62894551) is 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)Cc1cccc(OC)c1.
What is the InChIKey of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is IXJNFVNUQCTFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(10-12-5-3-7-14(9-12)21-2)11-13-6-4-8-19-15(13)16(17)18/h3-9H,10-11H2,1-2H3,(H3,17,18).
What are the key properties of 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62894551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).