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

C15H17ClN4 — CID 62493585

IUPAC5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C15H17ClN4/c1-20(9-6-11-4-7-19-8-5-11)14-3-2-12(16)10-13(14)15(17)18/h2-5,7-8,10H,6,9H2,1H3,(H3,17,18)
InChIKeyMIGNRQOSOIPPMK-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide

5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (PubChem CID 62493585) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
PubChem CID62493585
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCc1ccncc1
InChIInChI=1S/C15H17ClN4/c1-20(9-6-11-4-7-19-8-5-11)14-3-2-12(16)10-13(14)15(17)18/h2-5,7-8,10H,6,9H2,1H3,(H3,17,18)
InChIKeyMIGNRQOSOIPPMK-UHFFFAOYSA-N
XLogP2.70
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.70
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

5-fluoro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 63673073
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
3-bromo-4-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 82799848
5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
CID 79850182
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
4-[2-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxamide
CID 133471121
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide (CID 62493585) is 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)CCc1ccncc1.
What is the InChIKey of 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
The InChIKey is MIGNRQOSOIPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-20(9-6-11-4-7-19-8-5-11)14-3-2-12(16)10-13(14)15(17)18/h2-5,7-8,10H,6,9H2,1H3,(H3,17,18).
What are the key properties of 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide?
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide has a molecular weight of 288.78 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62493585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).