4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide

C14H15ClN4 — CID 55179840

IUPAC4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1ccccn1
InChIInChI=1S/C14H15ClN4/c1-19(9-11-4-2-3-7-18-11)13-8-10(15)5-6-12(13)14(16)17/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyXQMXVHNJOSDYBI-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.66
Rot. Bonds4

About 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide

4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 55179840) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID55179840
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1ccccn1
InChIInChI=1S/C14H15ClN4/c1-19(9-11-4-2-3-7-18-11)13-8-10(15)5-6-12(13)14(16)17/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyXQMXVHNJOSDYBI-UHFFFAOYSA-N
XLogP2.66
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.66
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

4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzenecarboximidamide
CID 63092842
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119
3-[methyl(pyridin-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684211
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-chloro-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 62502960
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide (CID 55179840) is 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(C)Cc1ccccn1.
What is the InChIKey of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is XQMXVHNJOSDYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-19(9-11-4-2-3-7-18-11)13-8-10(15)5-6-12(13)14(16)17/h2-8H,9H2,1H3,(H3,16,17).
What are the key properties of 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide?
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 274.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 55179840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).